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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 (53,726)
Phenols (5,576)
Naphthalenes (4,128)
Fluorenes (1,022)
Unsubstituted Phenols (914)
Thiophenols (626)
Phenol esters (414)
Anthracenes (367)
Tetralins (305)
Triphenyl compounds (280)
Indanes (228)
Phenanthrenes and derivatives (225)
Pyrenes (161)
Dibenzocycloheptenes (52)
Naphthacenes (33)
Ellagic acids and derivatives (25)
Pentacenes (17)
Pentacenequinones (9)
Acenaphthylenes (7)
1-hydroxylamino 2-unsubstituted benzenoids (5)
Perylenequinones (3)

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256 – 270 of 55,094 results
256

3-Fluorophenylacetone, 98%, Thermo Scientific™

CAS: 1737-19-5 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.17 MDL Number: MFCD00061144 InChI Key: UWCPYXSRCQVABG-UHFFFAOYSA-N Synonym: 3-fluorophenylacetone,1-3-fluorophenyl propan-2-one,1-3-fluorophenyl acetone,acmc-1bqff,m-fluorophenyl-2-propanone,1-3-fluorophenyl acetone #,1-3-fluorophenyl-2-propanone PubChem CID: 137185 IUPAC Name: 1-(3-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC(=CC=C1)F

EDGE
PubChem CID 137185
CAS 1737-19-5
Molecular Weight (g/mol) 152.17
MDL Number MFCD00061144
SMILES CC(=O)CC1=CC(=CC=C1)F
Synonym 3-fluorophenylacetone,1-3-fluorophenyl propan-2-one,1-3-fluorophenyl acetone,acmc-1bqff,m-fluorophenyl-2-propanone,1-3-fluorophenyl acetone #,1-3-fluorophenyl-2-propanone
IUPAC Name 1-(3-fluorophenyl)propan-2-one
InChI Key UWCPYXSRCQVABG-UHFFFAOYSA-N
Molecular Formula C9H9FO
257

Methyl 3-hydroxybenzoate, 98%

CAS: 19438-10-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002295 InChI Key: YKUCHDXIBAQWSF-UHFFFAOYSA-N Synonym: methyl m-hydroxybenzoate,3-hydroxybenzoic acid methyl ester,m-carbomethoxyphenol,methyl m-oxybenzoate,m-hydroxybenzoic acid methyl ester,benzoic acid, 3-hydroxy-, methyl ester,3-hydroxy-benzoic acid methyl ester,unii-569m9g3stj,3-methoxycarbonyl phenol,benzoic acid, m-hydroxy-, methyl ester PubChem CID: 88068 IUPAC Name: methyl 3-hydroxybenzoate SMILES: COC(=O)C1=CC=CC(O)=C1

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PubChem CID 88068
CAS 19438-10-9
Molecular Weight (g/mol) 152.15
MDL Number MFCD00002295
SMILES COC(=O)C1=CC=CC(O)=C1
Synonym methyl m-hydroxybenzoate,3-hydroxybenzoic acid methyl ester,m-carbomethoxyphenol,methyl m-oxybenzoate,m-hydroxybenzoic acid methyl ester,benzoic acid, 3-hydroxy-, methyl ester,3-hydroxy-benzoic acid methyl ester,unii-569m9g3stj,3-methoxycarbonyl phenol,benzoic acid, m-hydroxy-, methyl ester
IUPAC Name methyl 3-hydroxybenzoate
InChI Key YKUCHDXIBAQWSF-UHFFFAOYSA-N
Molecular Formula C8H8O3
258

4-Methoxyphenethyl alcohol, 96%

CAS: 702-23-8 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002900 InChI Key: AUWDOZOUJWEPBA-UHFFFAOYSA-N Synonym: 2-4-methoxyphenyl ethanol,4-methoxyphenethyl alcohol,4-methoxybenzeneethanol,benzeneethanol, 4-methoxy,p-methoxyphenethyl alcohol,2-4-methoxyphenyl ethan-1-ol,unii-3mwl5nze9k,3mwl5nze9k,4-2-hydroxyethyl anisole,2-4-methoxyphenyl-ethanol PubChem CID: 69705 IUPAC Name: 2-(4-methoxyphenyl)ethanol SMILES: COC1=CC=C(C=C1)CCO

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PubChem CID 69705
CAS 702-23-8
Molecular Weight (g/mol) 152.19
MDL Number MFCD00002900
SMILES COC1=CC=C(C=C1)CCO
Synonym 2-4-methoxyphenyl ethanol,4-methoxyphenethyl alcohol,4-methoxybenzeneethanol,benzeneethanol, 4-methoxy,p-methoxyphenethyl alcohol,2-4-methoxyphenyl ethan-1-ol,unii-3mwl5nze9k,3mwl5nze9k,4-2-hydroxyethyl anisole,2-4-methoxyphenyl-ethanol
IUPAC Name 2-(4-methoxyphenyl)ethanol
InChI Key AUWDOZOUJWEPBA-UHFFFAOYSA-N
Molecular Formula C9H12O2
259

4-Aminomethylphenylboronic acid hydrochloride, 96%

CAS: 75705-21-4 Molecular Formula: C7H11BClNO2 Molecular Weight (g/mol): 187.43 MDL Number: MFCD01632199 InChI Key: HUZNRXFJHYNUMV-UHFFFAOYSA-N Synonym: 4-aminomethylphenylboronic acid hydrochloride,4-aminomethyl phenylboronic acid hydrochloride,4-aminomethylphenylboronic acid, hcl,4-aminomethyl benzeneboronic acid hydrochloride,4-aminomethylphenylboronic acid hcl,4-aminomethylphenyl boronic acid hydrochloride,4-aminomethyl phenyl boronic acid hydrochloride,4-aminomethylbenzeneboronic acid hydrochloride,4-aminomethylphenylboronic acid, hydrochloride PubChem CID: 2734311 IUPAC Name: [4-(aminomethyl)phenyl]boronic acid;hydrochloride SMILES: Cl.NCC1=CC=C(C=C1)B(O)O

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PubChem CID 2734311
CAS 75705-21-4
Molecular Weight (g/mol) 187.43
MDL Number MFCD01632199
SMILES Cl.NCC1=CC=C(C=C1)B(O)O
Synonym 4-aminomethylphenylboronic acid hydrochloride,4-aminomethyl phenylboronic acid hydrochloride,4-aminomethylphenylboronic acid, hcl,4-aminomethyl benzeneboronic acid hydrochloride,4-aminomethylphenylboronic acid hcl,4-aminomethylphenyl boronic acid hydrochloride,4-aminomethyl phenyl boronic acid hydrochloride,4-aminomethylbenzeneboronic acid hydrochloride,4-aminomethylphenylboronic acid, hydrochloride
IUPAC Name [4-(aminomethyl)phenyl]boronic acid;hydrochloride
InChI Key HUZNRXFJHYNUMV-UHFFFAOYSA-N
Molecular Formula C7H11BClNO2
260

4-tert-Butylphenylboronic acid, 97%

CAS: 123324-71-0 Molecular Formula: C10H15BO2 Molecular Weight (g/mol): 178.04 MDL Number: MFCD01009697 InChI Key: MNJYZNVROSZZQC-UHFFFAOYSA-N Synonym: 4-t-butylphenylboronic acid,4-tert-butylbenzeneboronic acid,4-tert-butyl phenyl boronic acid,4-tert-butylphenyl boronic acid,4-tert-butyl phenylboronic acid,4-tert-butyl-phenyl boronic acid,4-tert-butylphenyl boranediol,p-t-butylphenylboronic acid,4-tertbutylphenylboronic acid PubChem CID: 2734320 IUPAC Name: (4-tert-butylphenyl)boronic acid SMILES: CC(C)(C)C1=CC=C(C=C1)B(O)O

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PubChem CID 2734320
CAS 123324-71-0
Molecular Weight (g/mol) 178.04
MDL Number MFCD01009697
SMILES CC(C)(C)C1=CC=C(C=C1)B(O)O
Synonym 4-t-butylphenylboronic acid,4-tert-butylbenzeneboronic acid,4-tert-butyl phenyl boronic acid,4-tert-butylphenyl boronic acid,4-tert-butyl phenylboronic acid,4-tert-butyl-phenyl boronic acid,4-tert-butylphenyl boranediol,p-t-butylphenylboronic acid,4-tertbutylphenylboronic acid
IUPAC Name (4-tert-butylphenyl)boronic acid
InChI Key MNJYZNVROSZZQC-UHFFFAOYSA-N
Molecular Formula C10H15BO2
261

1-Bromo-2,4-difluorobenzene, 98+%

CAS: 348-57-2 Molecular Formula: C6H3BrF2 Molecular Weight (g/mol): 192.99 MDL Number: MFCD00000330 InChI Key: MGHBDQZXPCTTIH-UHFFFAOYSA-N Synonym: 2,4-difluorobromobenzene,benzene, 1-bromo-2,4-difluoro,1-bromo-2,4-difluoro-benzene,bromo-2,4-difluorobenzene,2,4-difluoro-1-bromobenzene,attercop-chm at130629,fr cf de,pubchem2301,2.4-difluorobromobenzene,acmc-1adm3 PubChem CID: 67674 IUPAC Name: 1-bromo-2,4-difluorobenzene SMILES: FC1=CC=C(Br)C(F)=C1

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PubChem CID 67674
CAS 348-57-2
Molecular Weight (g/mol) 192.99
MDL Number MFCD00000330
SMILES FC1=CC=C(Br)C(F)=C1
Synonym 2,4-difluorobromobenzene,benzene, 1-bromo-2,4-difluoro,1-bromo-2,4-difluoro-benzene,bromo-2,4-difluorobenzene,2,4-difluoro-1-bromobenzene,attercop-chm at130629,fr cf de,pubchem2301,2.4-difluorobromobenzene,acmc-1adm3
IUPAC Name 1-bromo-2,4-difluorobenzene
InChI Key MGHBDQZXPCTTIH-UHFFFAOYSA-N
Molecular Formula C6H3BrF2
262

1,2,3,4-Tetrahydro-2-naphthol, 97%

CAS: 530-91-6 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00045575 InChI Key: JWQYZECMEPOAPF-UHFFFAOYSA-N Synonym: 1,2,3,4-tetrahydro-2-naphthol,2-hydroxytetralin,2-tetralinol,2-hydroxytetraline,beta-tetralol,tetrahydronaphthol-2,2-naphthalenol, 1,2,3,4-tetrahydro,.beta.-tetralol,ac-tetrahydro-beta-naphthol,2-naphthol, 1,2,3,4-tetrahydro PubChem CID: 10747 IUPAC Name: 1,2,3,4-tetrahydronaphthalen-2-ol SMILES: C1CC2=CC=CC=C2CC1O

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PubChem CID 10747
CAS 530-91-6
Molecular Weight (g/mol) 148.2
MDL Number MFCD00045575
SMILES C1CC2=CC=CC=C2CC1O
Synonym 1,2,3,4-tetrahydro-2-naphthol,2-hydroxytetralin,2-tetralinol,2-hydroxytetraline,beta-tetralol,tetrahydronaphthol-2,2-naphthalenol, 1,2,3,4-tetrahydro,.beta.-tetralol,ac-tetrahydro-beta-naphthol,2-naphthol, 1,2,3,4-tetrahydro
IUPAC Name 1,2,3,4-tetrahydronaphthalen-2-ol
InChI Key JWQYZECMEPOAPF-UHFFFAOYSA-N
Molecular Formula C10H12O
263

4'-Aminoacetanilide, 95%

CAS: 122-80-5 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00007853 InChI Key: CHMBIJAOCISYEW-UHFFFAOYSA-N Synonym: 4'-aminoacetanilide,n-4-aminophenyl acetamide,p-aminoacetanilide,4-aminoacetanilide,4-acetamidoaniline,p-amino acetanilide,p-acetamidoaniline,acetparamin,acetamide, n-4-aminophenyl,fourrine a PubChem CID: 31230 IUPAC Name: N-(4-aminophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)N

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PubChem CID 31230
CAS 122-80-5
Molecular Weight (g/mol) 150.18
MDL Number MFCD00007853
SMILES CC(=O)NC1=CC=C(C=C1)N
Synonym 4'-aminoacetanilide,n-4-aminophenyl acetamide,p-aminoacetanilide,4-aminoacetanilide,4-acetamidoaniline,p-amino acetanilide,p-acetamidoaniline,acetparamin,acetamide, n-4-aminophenyl,fourrine a
IUPAC Name N-(4-aminophenyl)acetamide
InChI Key CHMBIJAOCISYEW-UHFFFAOYSA-N
Molecular Formula C8H10N2O
264

Dinonyl phthalate, 96%, mixture of isomers

CAS: 84-76-4 Molecular Formula: C26H42O4 Molecular Weight (g/mol): 418.62 MDL Number: MFCD00036237 InChI Key: DROMNWUQASBTFM-UHFFFAOYSA-N Synonym: dinonyl phthalate,dinonylphthalate,nonyl phthalate,di-n-nonyl phthalate,bisoflex dnp,unimoll dn,bisoflex 91,phthalic acid, dinonyl ester,1,2-benzenedicarboxylic acid, dinonyl ester,bisolflex 91 PubChem CID: 6787 SMILES: CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC

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PubChem CID 6787
CAS 84-76-4
Molecular Weight (g/mol) 418.62
MDL Number MFCD00036237
SMILES CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC
Synonym dinonyl phthalate,dinonylphthalate,nonyl phthalate,di-n-nonyl phthalate,bisoflex dnp,unimoll dn,bisoflex 91,phthalic acid, dinonyl ester,1,2-benzenedicarboxylic acid, dinonyl ester,bisolflex 91
InChI Key DROMNWUQASBTFM-UHFFFAOYSA-N
Molecular Formula C26H42O4
265

trans,trans-Dibenzylideneacetone, 98%

CAS: 35225-79-7 Molecular Formula: C17H14O Molecular Weight (g/mol): 234.30 MDL Number: MFCD00004790 InChI Key: WMKGGPCROCCUDY-PHEQNACWSA-N Synonym: dibenzylideneacetone,1,5-diphenylpenta-1,4-dien-3-one,trans,trans-dibenzylideneacetone,dibenzalacetone,1e,4e-1,5-diphenylpenta-1,4-dien-3-one,dibenzylidene acetone,distyryl ketone,1,5-diphenyl-1,4-pentadien-3-one,trans,trans-dibenzalacetone,trans,trans-1,5-diphenyl-1,4-pentadien-3-one PubChem CID: 640180 IUPAC Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one SMILES: O=C(\C=C\C1=CC=CC=C1)/C=C/C1=CC=CC=C1

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PubChem CID 640180
CAS 35225-79-7
Molecular Weight (g/mol) 234.30
MDL Number MFCD00004790
SMILES O=C(\C=C\C1=CC=CC=C1)/C=C/C1=CC=CC=C1
Synonym dibenzylideneacetone,1,5-diphenylpenta-1,4-dien-3-one,trans,trans-dibenzylideneacetone,dibenzalacetone,1e,4e-1,5-diphenylpenta-1,4-dien-3-one,dibenzylidene acetone,distyryl ketone,1,5-diphenyl-1,4-pentadien-3-one,trans,trans-dibenzalacetone,trans,trans-1,5-diphenyl-1,4-pentadien-3-one
IUPAC Name (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
InChI Key WMKGGPCROCCUDY-PHEQNACWSA-N
Molecular Formula C17H14O
266

3-Aminobenzylamine, 97%

CAS: 4403-70-7 Molecular Formula: C7H10N2 Molecular Weight (g/mol): 122.17 MDL Number: MFCD00078355 InChI Key: ZDBWYUOUYNQZBM-UHFFFAOYSA-N Synonym: 3-aminobenzylamine,3-aminomethyl aniline,m-aminobenzylamine,benzenemethanamine, 3-amino,3-aminomethyl-aniline,pubchem5802,alpha-amino-m-toluidine,3-aminomethyl phenylamine,3-aminophenyl methylamine PubChem CID: 4628831 IUPAC Name: 3-(aminomethyl)aniline SMILES: NCC1=CC(N)=CC=C1

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PubChem CID 4628831
CAS 4403-70-7
Molecular Weight (g/mol) 122.17
MDL Number MFCD00078355
SMILES NCC1=CC(N)=CC=C1
Synonym 3-aminobenzylamine,3-aminomethyl aniline,m-aminobenzylamine,benzenemethanamine, 3-amino,3-aminomethyl-aniline,pubchem5802,alpha-amino-m-toluidine,3-aminomethyl phenylamine,3-aminophenyl methylamine
IUPAC Name 3-(aminomethyl)aniline
InChI Key ZDBWYUOUYNQZBM-UHFFFAOYSA-N
Molecular Formula C7H10N2
267

3,5-Dibromobenzaldehyde, 98+%

CAS: 56990-02-4 Molecular Formula: C7H4Br2O Molecular Weight (g/mol): 263.91 MDL Number: MFCD00156887 InChI Key: ZLDMZIXUGCGKMB-UHFFFAOYSA-N Synonym: 3,5-dibromo-benzaldehyde,benzaldehyde, 3,5-dibromo,pubchem3069,acmc-209lvd,ksc493o2p,3,5-bis bromanyl benzaldehyde,paragos 530307,3,5-dibromo-phenyl-methanone PubChem CID: 622077 IUPAC Name: 3,5-dibromobenzaldehyde SMILES: C1=C(C=C(C=C1Br)Br)C=O

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PubChem CID 622077
CAS 56990-02-4
Molecular Weight (g/mol) 263.91
MDL Number MFCD00156887
SMILES C1=C(C=C(C=C1Br)Br)C=O
Synonym 3,5-dibromo-benzaldehyde,benzaldehyde, 3,5-dibromo,pubchem3069,acmc-209lvd,ksc493o2p,3,5-bis bromanyl benzaldehyde,paragos 530307,3,5-dibromo-phenyl-methanone
IUPAC Name 3,5-dibromobenzaldehyde
InChI Key ZLDMZIXUGCGKMB-UHFFFAOYSA-N
Molecular Formula C7H4Br2O
268

Phenetole, 98+%

CAS: 103-73-1 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00009090 InChI Key: DLRJIFUOBPOJNS-UHFFFAOYSA-N Synonym: phenetole,benzene, ethoxy,ethyl phenyl ether,phenetol,phenyl ethyl ether,phenoxyethane,a phenoxyethane,ether, ethyl phenyl,unii-rb8lu2c57f PubChem CID: 7674 ChEBI: CHEBI:67129 IUPAC Name: ethoxybenzene SMILES: CCOC1=CC=CC=C1

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PubChem CID 7674
CAS 103-73-1
Molecular Weight (g/mol) 122.17
ChEBI CHEBI:67129
MDL Number MFCD00009090
SMILES CCOC1=CC=CC=C1
Synonym phenetole,benzene, ethoxy,ethyl phenyl ether,phenetol,phenyl ethyl ether,phenoxyethane,a phenoxyethane,ether, ethyl phenyl,unii-rb8lu2c57f
IUPAC Name ethoxybenzene
InChI Key DLRJIFUOBPOJNS-UHFFFAOYSA-N
Molecular Formula C8H10O
269

3-Methoxyphenyl isocyanate, 99%

CAS: 18908-07-1 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00002019 InChI Key: NPOVTGVGOBJZPY-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate PubChem CID: 87843 IUPAC Name: 1-isocyanato-3-methoxybenzene SMILES: COC1=CC=CC(=C1)N=C=O

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PubChem CID 87843
CAS 18908-07-1
Molecular Weight (g/mol) 149.15
MDL Number MFCD00002019
SMILES COC1=CC=CC(=C1)N=C=O
Synonym 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate
IUPAC Name 1-isocyanato-3-methoxybenzene
InChI Key NPOVTGVGOBJZPY-UHFFFAOYSA-N
Molecular Formula C8H7NO2
270

3-Iodoanisole, 97%

CAS: 766-85-8 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.04 MDL Number: MFCD00001048 InChI Key: RSHBAGGASAJQCH-UHFFFAOYSA-N Synonym: 3-iodoanisole,m-iodoanisole,benzene, 1-iodo-3-methoxy,anisole, m-iodo,m-methoxyiodobenzene,3-methoxyphenyl iodide,3-methoxyiodobenzene,1-iodo-3-methoxy-benzene,m-iodoanisol,m-iodo-anisole PubChem CID: 69839 IUPAC Name: 1-iodo-3-methoxybenzene SMILES: COC1=CC(=CC=C1)I

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PubChem CID 69839
CAS 766-85-8
Molecular Weight (g/mol) 234.04
MDL Number MFCD00001048
SMILES COC1=CC(=CC=C1)I
Synonym 3-iodoanisole,m-iodoanisole,benzene, 1-iodo-3-methoxy,anisole, m-iodo,m-methoxyiodobenzene,3-methoxyphenyl iodide,3-methoxyiodobenzene,1-iodo-3-methoxy-benzene,m-iodoanisol,m-iodo-anisole
IUPAC Name 1-iodo-3-methoxybenzene
InChI Key RSHBAGGASAJQCH-UHFFFAOYSA-N
Molecular Formula C7H7IO