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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 (64,928)
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Naphthalenes (4,958)
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Unsubstituted Phenols (1,173)
Thiophenols (610)
Phenol esters (428)
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1-hydroxylamino 2-unsubstituted benzenoids (5)

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3,991 – 4,005 of 73,817 results
3,991

Dibenzylamine, 98%

CAS: 103-49-1 Molecular Formula: C14H15N Molecular Weight (g/mol): 197.28 MDL Number: MFCD00004770 InChI Key: BWLUMTFWVZZZND-UHFFFAOYSA-N Synonym: dibenzylamine,benzenemethanamine, n-phenylmethyl,n-benzylbenzylamine,bibenzylamine,dibenzyl-amine,dibenzyl amine,bisbenzylamine,n,n-dibenzylamine,n-benzylaminomethyl benzene,unii-3g0yfx01c6 PubChem CID: 7656 SMILES: C(NCC1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 7656
CAS 103-49-1
Molecular Weight (g/mol) 197.28
MDL Number MFCD00004770
SMILES C(NCC1=CC=CC=C1)C1=CC=CC=C1
Synonym dibenzylamine,benzenemethanamine, n-phenylmethyl,n-benzylbenzylamine,bibenzylamine,dibenzyl-amine,dibenzyl amine,bisbenzylamine,n,n-dibenzylamine,n-benzylaminomethyl benzene,unii-3g0yfx01c6
InChI Key BWLUMTFWVZZZND-UHFFFAOYSA-N
Molecular Formula C14H15N
3,992

(3,4-Dimethoxyphenyl)acetic acid, 99%

CAS: 93-40-3 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.2 MDL Number: MFCD00004335 InChI Key: WUAXWQRULBZETB-UHFFFAOYSA-N Synonym: homoveratric acid,3,4-dimethoxyphenylacetic acid,3,4-dimethoxyphenyl acetic acid,2-3,4-dimethoxyphenyl acetic acid,benzeneacetic acid, 3,4-dimethoxy,3,4-dimethoxybenzeneacetic acid,3,4-dimethoxy-phenyl-acetic acid,acetic acid, 3,4-dimethoxyphenyl PubChem CID: 7139 ChEBI: CHEBI:86655 IUPAC Name: 2-(3,4-dimethoxyphenyl)acetic acid SMILES: COC1=C(C=C(C=C1)CC(=O)O)OC

PubChem CID 7139
CAS 93-40-3
Molecular Weight (g/mol) 196.2
ChEBI CHEBI:86655
MDL Number MFCD00004335
SMILES COC1=C(C=C(C=C1)CC(=O)O)OC
Synonym homoveratric acid,3,4-dimethoxyphenylacetic acid,3,4-dimethoxyphenyl acetic acid,2-3,4-dimethoxyphenyl acetic acid,benzeneacetic acid, 3,4-dimethoxy,3,4-dimethoxybenzeneacetic acid,3,4-dimethoxy-phenyl-acetic acid,acetic acid, 3,4-dimethoxyphenyl
IUPAC Name 2-(3,4-dimethoxyphenyl)acetic acid
InChI Key WUAXWQRULBZETB-UHFFFAOYSA-N
Molecular Formula C10H12O4
3,993

N-Methyl-N-propargylbenzylamine, 97%

CAS: 555-57-7 Molecular Formula: C11H13N Molecular Weight (g/mol): 159.23 MDL Number: MFCD00008576 InChI Key: DPWPWRLQFGFJFI-UHFFFAOYSA-N Synonym: pargyline,pargylamine,n-methyl-n-propargylbenzylamine,paragyline,eudatin,supirdyl,eutonyl,pargylin,n-methyl-n-2-propynylbenzylamine,benzyl-methyl-2-propinylamin PubChem CID: 4688 ChEBI: CHEBI:7930 IUPAC Name: N-benzyl-N-methylprop-2-yn-1-amine SMILES: CN(CC#C)CC1=CC=CC=C1

PubChem CID 4688
CAS 555-57-7
Molecular Weight (g/mol) 159.23
ChEBI CHEBI:7930
MDL Number MFCD00008576
SMILES CN(CC#C)CC1=CC=CC=C1
Synonym pargyline,pargylamine,n-methyl-n-propargylbenzylamine,paragyline,eudatin,supirdyl,eutonyl,pargylin,n-methyl-n-2-propynylbenzylamine,benzyl-methyl-2-propinylamin
IUPAC Name N-benzyl-N-methylprop-2-yn-1-amine
InChI Key DPWPWRLQFGFJFI-UHFFFAOYSA-N
Molecular Formula C11H13N
3,994

Pentafluorobenzoic acid, 99%

CAS: 602-94-8 Molecular Formula: C7HF5O2 Molecular Weight (g/mol): 212.08 MDL Number: MFCD00002406 InChI Key: YZERDTREOUSUHF-UHFFFAOYSA-N Synonym: pentafluorobenzoic acid,perfluorobenzoic acid,benzoic acid, pentafluoro,benzoic acid, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorobenzoicacid,pubchem2320,acmc-1b1wz,4-09-00-00956 beilstein handbook reference,ksc355e3b,rarechem al bo 0017 PubChem CID: 11770 ChEBI: CHEBI:46796 IUPAC Name: 2,3,4,5,6-pentafluorobenzoic acid SMILES: OC(=O)C1=C(F)C(F)=C(F)C(F)=C1F

PubChem CID 11770
CAS 602-94-8
Molecular Weight (g/mol) 212.08
ChEBI CHEBI:46796
MDL Number MFCD00002406
SMILES OC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
Synonym pentafluorobenzoic acid,perfluorobenzoic acid,benzoic acid, pentafluoro,benzoic acid, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorobenzoicacid,pubchem2320,acmc-1b1wz,4-09-00-00956 beilstein handbook reference,ksc355e3b,rarechem al bo 0017
IUPAC Name 2,3,4,5,6-pentafluorobenzoic acid
InChI Key YZERDTREOUSUHF-UHFFFAOYSA-N
Molecular Formula C7HF5O2
3,995

Hexafluorobenzene, 99%

CAS: 392-56-3 Molecular Formula: C6F6 Molecular Weight (g/mol): 186.06 MDL Number: MFCD00000288 InChI Key: ZQBFAOFFOQMSGJ-UHFFFAOYSA-N Synonym: hexafluorobenzene,perfluorobenzene,benzene, hexafluoro,hexafluorbenzol,unii-cmc18t611k,benzene, 1,2,3,4,5,6-hexafluoro,hexa fluorobenzene,hexafluoro benzene,pubchem18879,acmc-1bmus PubChem CID: 9805 ChEBI: CHEBI:38589 IUPAC Name: 1,2,3,4,5,6-hexafluorobenzene SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)F

PubChem CID 9805
CAS 392-56-3
Molecular Weight (g/mol) 186.06
ChEBI CHEBI:38589
MDL Number MFCD00000288
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)F
Synonym hexafluorobenzene,perfluorobenzene,benzene, hexafluoro,hexafluorbenzol,unii-cmc18t611k,benzene, 1,2,3,4,5,6-hexafluoro,hexa fluorobenzene,hexafluoro benzene,pubchem18879,acmc-1bmus
IUPAC Name 1,2,3,4,5,6-hexafluorobenzene
InChI Key ZQBFAOFFOQMSGJ-UHFFFAOYSA-N
Molecular Formula C6F6
3,996

3-Hydroxy-2-naphthoic acid, 98%

CAS: 92-70-6 Molecular Formula: C11H8O3 Molecular Weight (g/mol): 188.18 MDL Number: MFCD00004103 InChI Key: ALKYHXVLJMQRLQ-UHFFFAOYSA-N Synonym: 3-hydroxy-2-naphthoic acid,2-hydroxy-3-naphthoic acid,bon acid,bona,developer bon,2-naphthol-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy,b.o.n. acid,c.i. developer 20,miketazol developer ons PubChem CID: 7104 ChEBI: CHEBI:80383 IUPAC Name: 3-hydroxynaphthalene-2-carboxylic acid SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O

PubChem CID 7104
CAS 92-70-6
Molecular Weight (g/mol) 188.18
ChEBI CHEBI:80383
MDL Number MFCD00004103
SMILES C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O
Synonym 3-hydroxy-2-naphthoic acid,2-hydroxy-3-naphthoic acid,bon acid,bona,developer bon,2-naphthol-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy,b.o.n. acid,c.i. developer 20,miketazol developer ons
IUPAC Name 3-hydroxynaphthalene-2-carboxylic acid
InChI Key ALKYHXVLJMQRLQ-UHFFFAOYSA-N
Molecular Formula C11H8O3
3,997

Isoeugenol, 98+%, mixture of cis/trans isomers

CAS: 97-54-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00009285 InChI Key: BJIOGJUNALELMI-ONEGZZNKSA-N Synonym: isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene PubChem CID: 853433 ChEBI: CHEBI:50545 SMILES: COC1=CC(\C=C\C)=CC=C1O

PubChem CID 853433
CAS 97-54-1
Molecular Weight (g/mol) 164.20
ChEBI CHEBI:50545
MDL Number MFCD00009285
SMILES COC1=CC(\C=C\C)=CC=C1O
Synonym isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene
InChI Key BJIOGJUNALELMI-ONEGZZNKSA-N
Molecular Formula C10H12O2
3,998

Nitroterephthalic acid, 99+%

CAS: 610-29-7 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.13 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

PubChem CID 69122
CAS 610-29-7
Molecular Weight (g/mol) 211.13
MDL Number MFCD00007141
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
InChI Key QUMITRDILMWWBC-UHFFFAOYSA-N
Molecular Formula C8H5NO6
3,999

3-Hydroxyphenylacetic acid, 99+%

CAS: 621-37-4 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00004337 InChI Key: FVMDYYGIDFPZAX-UHFFFAOYSA-N Synonym: 3-hydroxyphenylacetic acid,2-3-hydroxyphenyl acetic acid,3-hydroxyphenyl acetic acid,3-hydroxybenzeneacetic acid,3-hydroxyphenylacetate,m-hydroxyphenylacetic acid,m-hydroxyphenyl acetic acid,benzeneacetic acid, 3-hydroxy,metahydroxy phenylacetic acid,acetic acid, m-hydroxyphenyl PubChem CID: 12122 ChEBI: CHEBI:17445 IUPAC Name: 2-(3-hydroxyphenyl)acetic acid SMILES: OC(=O)CC1=CC=CC(O)=C1

PubChem CID 12122
CAS 621-37-4
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:17445
MDL Number MFCD00004337
SMILES OC(=O)CC1=CC=CC(O)=C1
Synonym 3-hydroxyphenylacetic acid,2-3-hydroxyphenyl acetic acid,3-hydroxyphenyl acetic acid,3-hydroxybenzeneacetic acid,3-hydroxyphenylacetate,m-hydroxyphenylacetic acid,m-hydroxyphenyl acetic acid,benzeneacetic acid, 3-hydroxy,metahydroxy phenylacetic acid,acetic acid, m-hydroxyphenyl
IUPAC Name 2-(3-hydroxyphenyl)acetic acid
InChI Key FVMDYYGIDFPZAX-UHFFFAOYSA-N
Molecular Formula C8H8O3
4,000

2-Chloro-4-fluorobenzylamine, 97%

CAS: 15205-11-5 Molecular Formula: C7H7ClFN Molecular Weight (g/mol): 159.588 MDL Number: MFCD00042532 InChI Key: CBKWAXKMZUULLO-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorobenzylamine,2-chloro-4-fluorophenyl methanamine,2-chloro-4-fluorobenzyl amine,1-2-chloro-4-fluorophenyl methanamine,benzenemethanamine, 2-chloro-4-fluoro,2-chloro-4-fluorophenyl methylamine,2-chloro-4-florobenzylamine,acmc-1c6hl,2-chloro4-fluorobenzylamine,2-chloro-4-fluorobenzylamide PubChem CID: 139909 IUPAC Name: (2-chloro-4-fluorophenyl)methanamine SMILES: C1=CC(=C(C=C1F)Cl)CN

PubChem CID 139909
CAS 15205-11-5
Molecular Weight (g/mol) 159.588
MDL Number MFCD00042532
SMILES C1=CC(=C(C=C1F)Cl)CN
Synonym 2-chloro-4-fluorobenzylamine,2-chloro-4-fluorophenyl methanamine,2-chloro-4-fluorobenzyl amine,1-2-chloro-4-fluorophenyl methanamine,benzenemethanamine, 2-chloro-4-fluoro,2-chloro-4-fluorophenyl methylamine,2-chloro-4-florobenzylamine,acmc-1c6hl,2-chloro4-fluorobenzylamine,2-chloro-4-fluorobenzylamide
IUPAC Name (2-chloro-4-fluorophenyl)methanamine
InChI Key CBKWAXKMZUULLO-UHFFFAOYSA-N
Molecular Formula C7H7ClFN
4,001

3-Bromo-5-(trifluoromethyl)benzene-1,2-diamine, 97%, Thermo Scientific™

CAS: 113170-72-2 Molecular Formula: C7H6BrF3N2 Molecular Weight (g/mol): 255.038 MDL Number: MFCD00042484 InChI Key: OVGAPUVMLZWQQF-UHFFFAOYSA-N Synonym: 3-bromo-5-trifluoromethyl benzene-1,2-diamine,3-bromo-4,5-diaminobenzotrifluoride,buttpark 82\03-57,1,2-diamino-3-bromo-5-trifluoromethyl benzene,3-bromo-5-trifluoromethyl-1,2-phenylenediamine,2-amino-3-bromo-5-trifluoromethyl phenylamine,3-bromo-5-trifluoromethyl-1,2-benzenediamine,4,5-diamino-3-bromobenzotrifluoride,pubchem2253 PubChem CID: 735785 IUPAC Name: 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine SMILES: C1=C(C=C(C(=C1N)N)Br)C(F)(F)F

PubChem CID 735785
CAS 113170-72-2
Molecular Weight (g/mol) 255.038
MDL Number MFCD00042484
SMILES C1=C(C=C(C(=C1N)N)Br)C(F)(F)F
Synonym 3-bromo-5-trifluoromethyl benzene-1,2-diamine,3-bromo-4,5-diaminobenzotrifluoride,buttpark 82\03-57,1,2-diamino-3-bromo-5-trifluoromethyl benzene,3-bromo-5-trifluoromethyl-1,2-phenylenediamine,2-amino-3-bromo-5-trifluoromethyl phenylamine,3-bromo-5-trifluoromethyl-1,2-benzenediamine,4,5-diamino-3-bromobenzotrifluoride,pubchem2253
IUPAC Name 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
InChI Key OVGAPUVMLZWQQF-UHFFFAOYSA-N
Molecular Formula C7H6BrF3N2
4,002

3-Methoxybenzyl alcohol, 98%

CAS: 6971-51-3 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004637 InChI Key: IIGNZLVHOZEOPV-UHFFFAOYSA-N Synonym: 3-methoxybenzyl alcohol,3-methoxyphenyl methanol,m-methoxybenzyl alcohol,3-methoxybenzylalcohol,m-anisyl alcohol,3-anise alcohol,3-anisyl alcohol,benzenemethanol, 3-methoxy,unii-i1xc3698n5,3-methoxyphenyl methan-1-ol PubChem CID: 81437 ChEBI: CHEBI:1580 IUPAC Name: (3-methoxyphenyl)methanol SMILES: COC1=CC=CC(=C1)CO

PubChem CID 81437
CAS 6971-51-3
Molecular Weight (g/mol) 138.17
ChEBI CHEBI:1580
MDL Number MFCD00004637
SMILES COC1=CC=CC(=C1)CO
Synonym 3-methoxybenzyl alcohol,3-methoxyphenyl methanol,m-methoxybenzyl alcohol,3-methoxybenzylalcohol,m-anisyl alcohol,3-anise alcohol,3-anisyl alcohol,benzenemethanol, 3-methoxy,unii-i1xc3698n5,3-methoxyphenyl methan-1-ol
IUPAC Name (3-methoxyphenyl)methanol
InChI Key IIGNZLVHOZEOPV-UHFFFAOYSA-N
Molecular Formula C8H10O2
4,003

2-Hydroxyphenylacetic acid, 99%

CAS: 614-75-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00004323 InChI Key: CCVYRRGZDBSHFU-UHFFFAOYSA-N Synonym: 2-hydroxyphenylacetic acid,2-2-hydroxyphenyl acetic acid,2-hydroxyphenyl acetic acid,benzeneacetic acid, 2-hydroxy,2-hydroxybenzeneacetic acid,o-hydroxyphenylacetic acid,acetic acid, o-hydroxyphenyl,2-hydroxyphenylacetate,o-hydroxyphenyl acetic acid,ortho-hydroxyphenylacetic acid PubChem CID: 11970 ChEBI: CHEBI:28478 IUPAC Name: 2-(2-hydroxyphenyl)acetic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)O

PubChem CID 11970
CAS 614-75-5
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:28478
MDL Number MFCD00004323
SMILES C1=CC=C(C(=C1)CC(=O)O)O
Synonym 2-hydroxyphenylacetic acid,2-2-hydroxyphenyl acetic acid,2-hydroxyphenyl acetic acid,benzeneacetic acid, 2-hydroxy,2-hydroxybenzeneacetic acid,o-hydroxyphenylacetic acid,acetic acid, o-hydroxyphenyl,2-hydroxyphenylacetate,o-hydroxyphenyl acetic acid,ortho-hydroxyphenylacetic acid
IUPAC Name 2-(2-hydroxyphenyl)acetic acid
InChI Key CCVYRRGZDBSHFU-UHFFFAOYSA-N
Molecular Formula C8H8O3
4,004

2-Hydroxy-4-methoxybenzophenone, 98%

CAS: 131-57-7 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00008387 InChI Key: DXGLGDHPHMLXJC-UHFFFAOYSA-N Synonym: oxybenzone,2-hydroxy-4-methoxybenzophenone,benzophenone-3,oxybenzon,4-methoxy-2-hydroxybenzophenone,2-benzoyl-5-methoxyphenol,oxibenzona,oxybenzonum,2-hydroxy-4-methoxyphenyl phenyl methanone,anuvex PubChem CID: 4632 ChEBI: CHEBI:34283 IUPAC Name: (2-hydroxy-4-methoxyphenyl)-phenylmethanone SMILES: COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

PubChem CID 4632
CAS 131-57-7
Molecular Weight (g/mol) 228.25
ChEBI CHEBI:34283
MDL Number MFCD00008387
SMILES COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
Synonym oxybenzone,2-hydroxy-4-methoxybenzophenone,benzophenone-3,oxybenzon,4-methoxy-2-hydroxybenzophenone,2-benzoyl-5-methoxyphenol,oxibenzona,oxybenzonum,2-hydroxy-4-methoxyphenyl phenyl methanone,anuvex
IUPAC Name (2-hydroxy-4-methoxyphenyl)-phenylmethanone
InChI Key DXGLGDHPHMLXJC-UHFFFAOYSA-N
Molecular Formula C14H12O3
4,005

3-Hydroxybenzyl Alcohol, 97%

CAS: 620-24-6 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00004643 InChI Key: OKVJCVWFVRATSG-UHFFFAOYSA-N Synonym: 3-hydroxybenzyl alcohol,3-hydroxymethyl phenol,benzenemethanol, 3-hydroxy,3-methylolphenol,m-hydroxybenzyl alcohol,3-hydroxybenzenemethanol,benzyl alcohol, m-hydroxy,3-hydroxybenzylalcohol,3-oh-benzyl-alcohol,3-hydroxymethyl-phenol PubChem CID: 102 ChEBI: CHEBI:17069 IUPAC Name: 3-(hydroxymethyl)phenol SMILES: C1=CC(=CC(=C1)O)CO

PubChem CID 102
CAS 620-24-6
Molecular Weight (g/mol) 124.14
ChEBI CHEBI:17069
MDL Number MFCD00004643
SMILES C1=CC(=CC(=C1)O)CO
Synonym 3-hydroxybenzyl alcohol,3-hydroxymethyl phenol,benzenemethanol, 3-hydroxy,3-methylolphenol,m-hydroxybenzyl alcohol,3-hydroxybenzenemethanol,benzyl alcohol, m-hydroxy,3-hydroxybenzylalcohol,3-oh-benzyl-alcohol,3-hydroxymethyl-phenol
IUPAC Name 3-(hydroxymethyl)phenol
InChI Key OKVJCVWFVRATSG-UHFFFAOYSA-N
Molecular Formula C7H8O2