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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (67,704)
Phenols (13,502)
Naphthalenes (5,073)
Fluorenes (1,235)
Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (564)
Anthracenes (413)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (278)
Pyrenes (229)
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Naphthacenes (36)
Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
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1-hydroxylamino 2-unsubstituted benzenoids (6)

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2,791 – 2,805 of 78,615 results
2,791

2-Iodo-4-(trifluoromethyl)aniline, 99%

CAS: 163444-17-5 Molecular Formula: C7H5F3IN Molecular Weight (g/mol): 287.02 MDL Number: MFCD02683097 InChI Key: UKKWTZPXYIYONW-UHFFFAOYSA-N Synonym: 4-amino-3-iodobenzotrifluoride,2-iodo-4-trifluoromethyl aniline,4-trifluoromethyl-2-iodobenzenamine,benzenamine, 2-iodo-4-trifluoromethyl,2-iodo-4-trifluoromethyl benzenamine,pubchem1632,acmc-209dpp,intermediates-zcf02228,ksc910s3b,3-iodo-4-aminobenzotrifluoride PubChem CID: 2783322 IUPAC Name: 2-iodo-4-(trifluoromethyl)aniline SMILES: NC1=C(I)C=C(C=C1)C(F)(F)F

PubChem CID 2783322
CAS 163444-17-5
Molecular Weight (g/mol) 287.02
MDL Number MFCD02683097
SMILES NC1=C(I)C=C(C=C1)C(F)(F)F
Synonym 4-amino-3-iodobenzotrifluoride,2-iodo-4-trifluoromethyl aniline,4-trifluoromethyl-2-iodobenzenamine,benzenamine, 2-iodo-4-trifluoromethyl,2-iodo-4-trifluoromethyl benzenamine,pubchem1632,acmc-209dpp,intermediates-zcf02228,ksc910s3b,3-iodo-4-aminobenzotrifluoride
IUPAC Name 2-iodo-4-(trifluoromethyl)aniline
InChI Key UKKWTZPXYIYONW-UHFFFAOYSA-N
Molecular Formula C7H5F3IN
2,792

2-Chloro-5-(trifluoromethyl)phenylacetic acid, 97%

CAS: 22893-39-6 Molecular Formula: C9H6ClF3O2 Molecular Weight (g/mol): 238.59 MDL Number: MFCD01631471 InChI Key: PDKWZFJSOMUXLE-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl phenylacetic acid,2-2-chloro-5-trifluoromethyl phenyl acetic acid,2-chloro-5-trifluoromethyl phenyl acetic acid,pubchem7160,acmc-20anz9,2-chloro-5-trifluoromethyl-phenyl-acetic acid,benzeneacetic acid, 2-chloro-5-trifluoromethyl PubChem CID: 2778119 IUPAC Name: 2-[2-chloro-5-(trifluoromethyl)phenyl]acetic acid SMILES: OC(=O)CC1=CC(=CC=C1Cl)C(F)(F)F

PubChem CID 2778119
CAS 22893-39-6
Molecular Weight (g/mol) 238.59
MDL Number MFCD01631471
SMILES OC(=O)CC1=CC(=CC=C1Cl)C(F)(F)F
Synonym 2-chloro-5-trifluoromethyl phenylacetic acid,2-2-chloro-5-trifluoromethyl phenyl acetic acid,2-chloro-5-trifluoromethyl phenyl acetic acid,pubchem7160,acmc-20anz9,2-chloro-5-trifluoromethyl-phenyl-acetic acid,benzeneacetic acid, 2-chloro-5-trifluoromethyl
IUPAC Name 2-[2-chloro-5-(trifluoromethyl)phenyl]acetic acid
InChI Key PDKWZFJSOMUXLE-UHFFFAOYSA-N
Molecular Formula C9H6ClF3O2
2,793

4-(Trifluoromethyl)benzoyl chloride, 97%

CAS: 329-15-7 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.56 MDL Number: MFCD00000694 InChI Key: OXZYBOLWRXENKT-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzoyl chloride,p-trifluoromethyl benzoyl chloride,p-trifluoromethylbenzoyl chloride,benzoyl chloride, 4-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluoyl chloride,4-trifluoromethyl benzoylchloride,p-trifluoromethyl benzoic acid chloride,ptf-boc,4-trifluoromethylbenzoylchloride,4-trifluoromethyl-benzoyl chloride PubChem CID: 67607 IUPAC Name: 4-(trifluoromethyl)benzoyl chloride SMILES: FC(F)(F)C1=CC=C(C=C1)C(Cl)=O

PubChem CID 67607
CAS 329-15-7
Molecular Weight (g/mol) 208.56
MDL Number MFCD00000694
SMILES FC(F)(F)C1=CC=C(C=C1)C(Cl)=O
Synonym 4-trifluoromethyl benzoyl chloride,p-trifluoromethyl benzoyl chloride,p-trifluoromethylbenzoyl chloride,benzoyl chloride, 4-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluoyl chloride,4-trifluoromethyl benzoylchloride,p-trifluoromethyl benzoic acid chloride,ptf-boc,4-trifluoromethylbenzoylchloride,4-trifluoromethyl-benzoyl chloride
IUPAC Name 4-(trifluoromethyl)benzoyl chloride
InChI Key OXZYBOLWRXENKT-UHFFFAOYSA-N
Molecular Formula C8H4ClF3O
2,794

2,4-Bis(trifluoromethyl)benzoic acid, 98%, Thermo Scientific™

CAS: 32890-87-2 Molecular Formula: C9H4F6O2 Molecular Weight (g/mol): 258.12 MDL Number: MFCD00042496 InChI Key: JTOIZLCQNWWDCN-UHFFFAOYSA-N Synonym: 2,4-bis trifluoromethyl benzoic acid,2,4-bis-trifluoromethylbenzoic acid,2,4-di trifluoromethyl benzoic acid,benzoic acid, 2,4-bis trifluoromethyl,2,4-bis-trifluoromethyl-benzoic acid,maybridge4_003283,acmc-20aoeb,pubchem8491,rarechem al bo 0512 PubChem CID: 141752 IUPAC Name: 2,4-bis(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)O

PubChem CID 141752
CAS 32890-87-2
Molecular Weight (g/mol) 258.12
MDL Number MFCD00042496
SMILES C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)O
Synonym 2,4-bis trifluoromethyl benzoic acid,2,4-bis-trifluoromethylbenzoic acid,2,4-di trifluoromethyl benzoic acid,benzoic acid, 2,4-bis trifluoromethyl,2,4-bis-trifluoromethyl-benzoic acid,maybridge4_003283,acmc-20aoeb,pubchem8491,rarechem al bo 0512
IUPAC Name 2,4-bis(trifluoromethyl)benzoic acid
InChI Key JTOIZLCQNWWDCN-UHFFFAOYSA-N
Molecular Formula C9H4F6O2
2,795

Benzophenone Imine, Sigma-Aldrich

CAS: 1013-88-3 Molecular Weight (g/mol): 181.23 g/mol

CAS 1013-88-3
Molecular Weight (g/mol) 181.23 g/mol
2,796

2-Fluoro-4-(trifluoromethyl)benzeneboronic acid, 97%

CAS: 503309-11-3 Molecular Formula: C7H5BF4O2 Molecular Weight (g/mol): 207.919 MDL Number: MFCD03094995 InChI Key: SSFSVKVWAURAAM-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethyl phenylboronic acid,2-fluoro-4-trifluoromethylphenylboronic acid,2-fluoro-4-trifluoromethyl benzeneboronic acid,2-fluoro-4-trifluoromethyl phenyl boronic acid,boronic acid, 2-fluoro-4-trifluoromethyl phenyl,pubchem1859,acmc-209klg,ksc269g4l,4-borono-3-fluorobenzotrifluoride PubChem CID: 16414145 IUPAC Name: [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)C(F)(F)F)F)(O)O

PubChem CID 16414145
CAS 503309-11-3
Molecular Weight (g/mol) 207.919
MDL Number MFCD03094995
SMILES B(C1=C(C=C(C=C1)C(F)(F)F)F)(O)O
Synonym 2-fluoro-4-trifluoromethyl phenylboronic acid,2-fluoro-4-trifluoromethylphenylboronic acid,2-fluoro-4-trifluoromethyl benzeneboronic acid,2-fluoro-4-trifluoromethyl phenyl boronic acid,boronic acid, 2-fluoro-4-trifluoromethyl phenyl,pubchem1859,acmc-209klg,ksc269g4l,4-borono-3-fluorobenzotrifluoride
IUPAC Name [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid
InChI Key SSFSVKVWAURAAM-UHFFFAOYSA-N
Molecular Formula C7H5BF4O2
2,797

4-Bromobenzotrifluoride, 99%

CAS: 402-43-7 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 MDL Number: MFCD00000398 InChI Key: XLQSXGGDTHANLN-UHFFFAOYSA-N Synonym: 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene PubChem CID: 67872 IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Br

PubChem CID 67872
CAS 402-43-7
Molecular Weight (g/mol) 225.008
MDL Number MFCD00000398
SMILES C1=CC(=CC=C1C(F)(F)F)Br
Synonym 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene
IUPAC Name 1-bromo-4-(trifluoromethyl)benzene
InChI Key XLQSXGGDTHANLN-UHFFFAOYSA-N
Molecular Formula C7H4BrF3
2,798

3-Fluorobenzotrifluoride, 99%

CAS: 401-80-9 Molecular Formula: C7H4F4 Molecular Weight (g/mol): 164.10 MDL Number: MFCD00000382 InChI Key: GBOWGKOVMBDPJF-UHFFFAOYSA-N Synonym: 3-fluorobenzotrifluoride,m-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl benzene,alpha,alpha,alpha,3-tetrafluorotoluene,benzene, 1-fluoro-3-trifluoromethyl,trifluoromethyl-3-fluorobenzene,a,a,a,3-tetrafluorotoluene,1-trifluoromethyl-3-fluorobenzene,1-fluoro-3-trifluoro-methyl benzene,3-trifluoromethyl fluorobenzene PubChem CID: 67867 IUPAC Name: 1-fluoro-3-(trifluoromethyl)benzene SMILES: FC1=CC=CC(=C1)C(F)(F)F

PubChem CID 67867
CAS 401-80-9
Molecular Weight (g/mol) 164.10
MDL Number MFCD00000382
SMILES FC1=CC=CC(=C1)C(F)(F)F
Synonym 3-fluorobenzotrifluoride,m-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl benzene,alpha,alpha,alpha,3-tetrafluorotoluene,benzene, 1-fluoro-3-trifluoromethyl,trifluoromethyl-3-fluorobenzene,a,a,a,3-tetrafluorotoluene,1-trifluoromethyl-3-fluorobenzene,1-fluoro-3-trifluoro-methyl benzene,3-trifluoromethyl fluorobenzene
IUPAC Name 1-fluoro-3-(trifluoromethyl)benzene
InChI Key GBOWGKOVMBDPJF-UHFFFAOYSA-N
Molecular Formula C7H4F4
2,799

2-[4-(Trifluoromethyl)phenyl]ethylamine, 98%

CAS: 775-00-8 Molecular Formula: C9H10F3N Molecular Weight (g/mol): 189.181 MDL Number: MFCD01529875 InChI Key: HMFOBPNVAAAACP-UHFFFAOYSA-N Synonym: 4-trifluoromethylphenethylamine,2-4-trifluoromethyl-phenyl-ethylamine,2-4-trifluoromethyl phenyl ethanamine,4-trifluoromethyl phenethylamine,2-4-trifluoromethyl-phenyl ethylamine,2-4-trifluoromethylphenyl ethylamine,2-4-trifluoromethyl phenyl ethan-1-amine,2-4-trifluoromethyl phenyl ethylamine,2-4-trifluoromethyl phenyl ethyl amine PubChem CID: 1988106 IUPAC Name: 2-[4-(trifluoromethyl)phenyl]ethanamine SMILES: C1=CC(=CC=C1CCN)C(F)(F)F

PubChem CID 1988106
CAS 775-00-8
Molecular Weight (g/mol) 189.181
MDL Number MFCD01529875
SMILES C1=CC(=CC=C1CCN)C(F)(F)F
Synonym 4-trifluoromethylphenethylamine,2-4-trifluoromethyl-phenyl-ethylamine,2-4-trifluoromethyl phenyl ethanamine,4-trifluoromethyl phenethylamine,2-4-trifluoromethyl-phenyl ethylamine,2-4-trifluoromethylphenyl ethylamine,2-4-trifluoromethyl phenyl ethan-1-amine,2-4-trifluoromethyl phenyl ethylamine,2-4-trifluoromethyl phenyl ethyl amine
IUPAC Name 2-[4-(trifluoromethyl)phenyl]ethanamine
InChI Key HMFOBPNVAAAACP-UHFFFAOYSA-N
Molecular Formula C9H10F3N
2,800

3-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride, 97%

CAS: 351003-46-8 Molecular Formula: C7H3BrClF3O2S Molecular Weight (g/mol): 323.508 MDL Number: MFCD03094393 InChI Key: YBUJCZFWJSUTSN-UHFFFAOYSA-N Synonym: 3-bromo-5-trifluoromethyl benzenesulfonyl chloride,3-bromo-5-trifluoromethyl benzene-1-sulfonyl chloride,3-bromo-5-trifluoromethyl benzenesulphonylchloride,3-bromo-5-trifluoromethyl benzene sulphonyl chloride,5-bromo-3-trifluoromethyl phenyl chlorosulfone,3-bromo-5-trifluoromethylphenylsulphonyl chloride,3-bromo-5-trifluoromethyl benzenesulphonyl chloride,benzenesulfonylchloride, 3-bromo-5-trifluoromethyl,3-bromo-5-trifluoromethylphenylsulfonyl chloride,3-bromo-5-trifluoromethyl benzenesulfonylchloride PubChem CID: 2778610 IUPAC Name: 3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=C(C=C(C=C1S(=O)(=O)Cl)Br)C(F)(F)F

PubChem CID 2778610
CAS 351003-46-8
Molecular Weight (g/mol) 323.508
MDL Number MFCD03094393
SMILES C1=C(C=C(C=C1S(=O)(=O)Cl)Br)C(F)(F)F
Synonym 3-bromo-5-trifluoromethyl benzenesulfonyl chloride,3-bromo-5-trifluoromethyl benzene-1-sulfonyl chloride,3-bromo-5-trifluoromethyl benzenesulphonylchloride,3-bromo-5-trifluoromethyl benzene sulphonyl chloride,5-bromo-3-trifluoromethyl phenyl chlorosulfone,3-bromo-5-trifluoromethylphenylsulphonyl chloride,3-bromo-5-trifluoromethyl benzenesulphonyl chloride,benzenesulfonylchloride, 3-bromo-5-trifluoromethyl,3-bromo-5-trifluoromethylphenylsulfonyl chloride,3-bromo-5-trifluoromethyl benzenesulfonylchloride
IUPAC Name 3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
InChI Key YBUJCZFWJSUTSN-UHFFFAOYSA-N
Molecular Formula C7H3BrClF3O2S
2,801

Methyl 3-(trifluoromethyl)phenylacetate, 97%, Thermo Scientific™

CAS: 62451-84-7 Molecular Formula: C10H9F3O2 Molecular Weight (g/mol): 218.17 MDL Number: MFCD04039762 InChI Key: GMEBDKGPPKAPEM-UHFFFAOYSA-N PubChem CID: 2734603 IUPAC Name: methyl 2-[3-(trifluoromethyl)phenyl]acetate SMILES: COC(=O)CC1=CC(=CC=C1)C(F)(F)F

PubChem CID 2734603
CAS 62451-84-7
Molecular Weight (g/mol) 218.17
MDL Number MFCD04039762
SMILES COC(=O)CC1=CC(=CC=C1)C(F)(F)F
IUPAC Name methyl 2-[3-(trifluoromethyl)phenyl]acetate
InChI Key GMEBDKGPPKAPEM-UHFFFAOYSA-N
Molecular Formula C10H9F3O2
2,802

2,3,4,5,6-Pentafluoroanisole, 98%

CAS: 389-40-2 Molecular Formula: C7H3F5O Molecular Weight (g/mol): 198.092 MDL Number: MFCD00000289 InChI Key: ZRQUIRABLIQJRI-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluoroanisole,pentafluoroanisole,benzene, pentafluoromethoxy,pentafluorophenyl methyl ether,pentafluoromethoxybenzene,methyl pentafluorophenyl ether,benzene, 1,2,3,4,5-pentafluoro-6-methoxy,anisole, 2,3,4,5,6-pentafluoro,1,2,3,4,6-pentafluoro-5-methoxybenzene,methoxypentafluorobenzene PubChem CID: 67849 IUPAC Name: 1,2,3,4,5-pentafluoro-6-methoxybenzene SMILES: COC1=C(C(=C(C(=C1F)F)F)F)F

PubChem CID 67849
CAS 389-40-2
Molecular Weight (g/mol) 198.092
MDL Number MFCD00000289
SMILES COC1=C(C(=C(C(=C1F)F)F)F)F
Synonym 2,3,4,5,6-pentafluoroanisole,pentafluoroanisole,benzene, pentafluoromethoxy,pentafluorophenyl methyl ether,pentafluoromethoxybenzene,methyl pentafluorophenyl ether,benzene, 1,2,3,4,5-pentafluoro-6-methoxy,anisole, 2,3,4,5,6-pentafluoro,1,2,3,4,6-pentafluoro-5-methoxybenzene,methoxypentafluorobenzene
IUPAC Name 1,2,3,4,5-pentafluoro-6-methoxybenzene
InChI Key ZRQUIRABLIQJRI-UHFFFAOYSA-N
Molecular Formula C7H3F5O
2,803

3,4,5-Trimethoxytoluene, 98%

CAS: 6443-69-2 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00008397 InChI Key: KCIZTNZGSBSSRM-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxytoluene,benzene, 1,2,3-trimethoxy-5-methyl,5-methylpyrogallol trimethyl ether,1,2,3-trimethoxy-5-methyl-benzene,toluene, 3,4,5-trimethoxy,1,2,3-trimethoxy-5-methylbenzol,pubchem13665,acmc-209nm4,3,4,5-trimethoxy-toluene,3,4,5-trimethoxy toluene PubChem CID: 80922 ChEBI: CHEBI:81354 IUPAC Name: 1,2,3-trimethoxy-5-methylbenzene SMILES: CC1=CC(=C(C(=C1)OC)OC)OC

PubChem CID 80922
CAS 6443-69-2
Molecular Weight (g/mol) 182.219
ChEBI CHEBI:81354
MDL Number MFCD00008397
SMILES CC1=CC(=C(C(=C1)OC)OC)OC
Synonym 3,4,5-trimethoxytoluene,benzene, 1,2,3-trimethoxy-5-methyl,5-methylpyrogallol trimethyl ether,1,2,3-trimethoxy-5-methyl-benzene,toluene, 3,4,5-trimethoxy,1,2,3-trimethoxy-5-methylbenzol,pubchem13665,acmc-209nm4,3,4,5-trimethoxy-toluene,3,4,5-trimethoxy toluene
IUPAC Name 1,2,3-trimethoxy-5-methylbenzene
InChI Key KCIZTNZGSBSSRM-UHFFFAOYSA-N
Molecular Formula C10H14O3
2,804

Ethyl 3-methoxyphenylacetate, 98%

CAS: 35553-92-5 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00026897 InChI Key: XXVVNHCWPHMLEZ-UHFFFAOYSA-N Synonym: ethyl 3-methoxyphenylacetate,ethyl 2-3-methoxyphenyl acetate,ethyl 3-methoxyphenyl acetate,benzeneacetic acid, 3-methoxy-, ethyl ester,acmc-20akzh,3-methoxy-phenyl-acetic acid ethyl ester,ethyl 2-3-methoxyphenyl ethanoate,3-methoxyphenylacetic acid ethyl ester,3-methoxybenzeneacetic acid ethyl ester,2-3-methoxyphenyl acetic acid ethyl ester PubChem CID: 2774971 IUPAC Name: ethyl 2-(3-methoxyphenyl)acetate SMILES: CCOC(=O)CC1=CC(=CC=C1)OC

PubChem CID 2774971
CAS 35553-92-5
Molecular Weight (g/mol) 194.23
MDL Number MFCD00026897
SMILES CCOC(=O)CC1=CC(=CC=C1)OC
Synonym ethyl 3-methoxyphenylacetate,ethyl 2-3-methoxyphenyl acetate,ethyl 3-methoxyphenyl acetate,benzeneacetic acid, 3-methoxy-, ethyl ester,acmc-20akzh,3-methoxy-phenyl-acetic acid ethyl ester,ethyl 2-3-methoxyphenyl ethanoate,3-methoxyphenylacetic acid ethyl ester,3-methoxybenzeneacetic acid ethyl ester,2-3-methoxyphenyl acetic acid ethyl ester
IUPAC Name ethyl 2-(3-methoxyphenyl)acetate
InChI Key XXVVNHCWPHMLEZ-UHFFFAOYSA-N
Molecular Formula C11H14O3
2,805

Homovanillic acid, 98%

CAS: 306-08-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00004350 InChI Key: QRMZSPFSDQBLIX-UHFFFAOYSA-N Synonym: homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid PubChem CID: 1738 ChEBI: CHEBI:545959 IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)acetic acid SMILES: COC1=C(C=CC(=C1)CC(=O)O)O

PubChem CID 1738
CAS 306-08-1
Molecular Weight (g/mol) 182.18
ChEBI CHEBI:545959
MDL Number MFCD00004350
SMILES COC1=C(C=CC(=C1)CC(=O)O)O
Synonym homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid
IUPAC Name 2-(4-hydroxy-3-methoxyphenyl)acetic acid
InChI Key QRMZSPFSDQBLIX-UHFFFAOYSA-N
Molecular Formula C9H10O4