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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 (129,842)
Phenols (24,890)
Naphthalenes (6,294)
Phenol esters (4,685)
Unsubstituted Phenols (1,453)
Fluorenes (1,297)
Thiophenols (748)
Anthracenes (509)
Indanes (489)
Phenanthrenes and derivatives (364)
Tetralins (340)
Pyrenes (286)
Triphenyl compounds (280)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (17)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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526 – 540 of 158,383 results
526
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3-Bromo-4-methylaniline, 97%

CAS: 7745-91-7 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00134176 InChI Key: GRXMMIBZRMKADT-UHFFFAOYSA-N Synonym: 3-bromo-p-toluidine,p-toluidine, 3-bromo,benzenamine, 3-bromo-4-methyl,3-bromo-4-methyl-phenylamine,3-bromo-1,4-toluidine,4-amino-2-bromotoluene,3-bromo-4-methylbenzenamine,3-bromo-4-methylphenylamine,3-bromo-para-toluidine,3-bromo-4-methyl-aniline PubChem CID: 82187 IUPAC Name: 3-bromo-4-methylaniline SMILES: CC1=CC=C(N)C=C1Br

PubChem CID 82187
CAS 7745-91-7
Molecular Weight (g/mol) 186.05
MDL Number MFCD00134176
SMILES CC1=CC=C(N)C=C1Br
Synonym 3-bromo-p-toluidine,p-toluidine, 3-bromo,benzenamine, 3-bromo-4-methyl,3-bromo-4-methyl-phenylamine,3-bromo-1,4-toluidine,4-amino-2-bromotoluene,3-bromo-4-methylbenzenamine,3-bromo-4-methylphenylamine,3-bromo-para-toluidine,3-bromo-4-methyl-aniline
IUPAC Name 3-bromo-4-methylaniline
InChI Key GRXMMIBZRMKADT-UHFFFAOYSA-N
Molecular Formula C7H8BrN
527
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2,6-Di-tert-butylphenol, 98%

CAS: 128-39-2 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.33 MDL Number: MFCD00008820 InChI Key: DKCPKDPYUFEZCP-UHFFFAOYSA-N Synonym: 2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701 PubChem CID: 31405 IUPAC Name: 2,6-ditert-butylphenol SMILES: CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C

PubChem CID 31405
CAS 128-39-2
Molecular Weight (g/mol) 206.33
MDL Number MFCD00008820
SMILES CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C
Synonym 2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701
IUPAC Name 2,6-ditert-butylphenol
InChI Key DKCPKDPYUFEZCP-UHFFFAOYSA-N
Molecular Formula C14H22O
528
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3-Fluorobenzoic acid, 99%

CAS: 455-38-9 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.11 MDL Number: MFCD00002489 InChI Key: MXNBDFWNYRNIBH-UHFFFAOYSA-N Synonym: m-fluorobenzoic acid,benzoic acid, 3-fluoro,meta-fluorobenzoic acid,benzoic acid, m-fluoro,3-fluoro-benzoic acid,3-fluorobenzoicacid,pubchem3480,3-fluorobenzoic acid,ksc235q1b,paragos 390192 PubChem CID: 9968 ChEBI: CHEBI:20021 IUPAC Name: 3-fluorobenzoic acid SMILES: OC(=O)C1=CC=CC(F)=C1

PubChem CID 9968
CAS 455-38-9
Molecular Weight (g/mol) 140.11
ChEBI CHEBI:20021
MDL Number MFCD00002489
SMILES OC(=O)C1=CC=CC(F)=C1
Synonym m-fluorobenzoic acid,benzoic acid, 3-fluoro,meta-fluorobenzoic acid,benzoic acid, m-fluoro,3-fluoro-benzoic acid,3-fluorobenzoicacid,pubchem3480,3-fluorobenzoic acid,ksc235q1b,paragos 390192
IUPAC Name 3-fluorobenzoic acid
InChI Key MXNBDFWNYRNIBH-UHFFFAOYSA-N
Molecular Formula C7H5FO2
529
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Benzylamine hydrochloride, 99%

CAS: 3287-99-8 Molecular Formula: C7H9N·ClH Molecular Weight (g/mol): 143.62 MDL Number: MFCD00012852 InChI Key: XKXHCNPAFAXVRZ-UHFFFAOYSA-N Synonym: benzylamine hydrochloride,phenylmethanamine hydrochloride,benzenemethanamine, hydrochloride,benzylammonium chloride,benzylamine, hydrochloride,usaf el-82,benzenemethanamine, hydrochloride 1:1,benzylamine hcl,benzylaminehydrochloride,benzyl amine hcl salt PubChem CID: 2724127 IUPAC Name: phenylmethanamine;hydrochloride SMILES: C1=CC=C(C=C1)CN.Cl

PubChem CID 2724127
CAS 3287-99-8
Molecular Weight (g/mol) 143.62
MDL Number MFCD00012852
SMILES C1=CC=C(C=C1)CN.Cl
Synonym benzylamine hydrochloride,phenylmethanamine hydrochloride,benzenemethanamine, hydrochloride,benzylammonium chloride,benzylamine, hydrochloride,usaf el-82,benzenemethanamine, hydrochloride 1:1,benzylamine hcl,benzylaminehydrochloride,benzyl amine hcl salt
IUPAC Name phenylmethanamine;hydrochloride
InChI Key XKXHCNPAFAXVRZ-UHFFFAOYSA-N
Molecular Formula C7H9N·ClH
530

Tamoxifen, MP Biomedicals

CAS: 10540-29-1 Molecular Formula: C26H29NO Molecular Weight (g/mol): 371.52 MDL Number: MFCD00010454 InChI Key: NKANXQFJJICGDU-QPLCGJKRSA-N PubChem CID: 2733526 ChEBI: CHEBI:41774 SMILES: CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1

PubChem CID 2733526
CAS 10540-29-1
Molecular Weight (g/mol) 371.52
ChEBI CHEBI:41774
MDL Number MFCD00010454
SMILES CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
InChI Key NKANXQFJJICGDU-QPLCGJKRSA-N
Molecular Formula C26H29NO
531
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4-tert-Butyltoluene, 96%

CAS: 98-51-1 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.25 MDL Number: MFCD00008837 InChI Key: QCWXDVFBZVHKLV-UHFFFAOYSA-N Synonym: 4-tert-butyltoluene,p-tert-butyltoluene,1-tert-butyl-4-methylbenzene,p-t-butyltoluene,benzene, 1-1,1-dimethylethyl-4-methyl,4-t-butyltoluene,p-methyl-tert-butylbenzene,toluene, p-tert-butyl,1-methyl-4-tert-butylbenzene,4-methyl-tert-butylbenzene PubChem CID: 7390 IUPAC Name: 1-tert-butyl-4-methylbenzene SMILES: CC1=CC=C(C=C1)C(C)(C)C

PubChem CID 7390
CAS 98-51-1
Molecular Weight (g/mol) 148.25
MDL Number MFCD00008837
SMILES CC1=CC=C(C=C1)C(C)(C)C
Synonym 4-tert-butyltoluene,p-tert-butyltoluene,1-tert-butyl-4-methylbenzene,p-t-butyltoluene,benzene, 1-1,1-dimethylethyl-4-methyl,4-t-butyltoluene,p-methyl-tert-butylbenzene,toluene, p-tert-butyl,1-methyl-4-tert-butylbenzene,4-methyl-tert-butylbenzene
IUPAC Name 1-tert-butyl-4-methylbenzene
InChI Key QCWXDVFBZVHKLV-UHFFFAOYSA-N
Molecular Formula C11H16
532
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4-Hydroxybenzophenone, 98%

CAS: 1137-42-4 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00002355 InChI Key: NPFYZDNDJHZQKY-UHFFFAOYSA-N Synonym: 4-hydroxybenzophenone,4-benzoylphenol,4-hydroxyphenyl phenyl methanone,p-benzoylphenol,p-hydroxybenzophenone,methanone, 4-hydroxyphenyl phenyl,4-hydroxyphenyl phenylmethanone,benzophenone, 4-hydroxy,unii-04r2lws0ms,4'-hydroxybenzophenone PubChem CID: 14347 ChEBI: CHEBI:34421 IUPAC Name: (4-hydroxyphenyl)-phenylmethanone SMILES: OC1=CC=C(C=C1)C(=O)C1=CC=CC=C1

PubChem CID 14347
CAS 1137-42-4
Molecular Weight (g/mol) 198.22
ChEBI CHEBI:34421
MDL Number MFCD00002355
SMILES OC1=CC=C(C=C1)C(=O)C1=CC=CC=C1
Synonym 4-hydroxybenzophenone,4-benzoylphenol,4-hydroxyphenyl phenyl methanone,p-benzoylphenol,p-hydroxybenzophenone,methanone, 4-hydroxyphenyl phenyl,4-hydroxyphenyl phenylmethanone,benzophenone, 4-hydroxy,unii-04r2lws0ms,4'-hydroxybenzophenone
IUPAC Name (4-hydroxyphenyl)-phenylmethanone
InChI Key NPFYZDNDJHZQKY-UHFFFAOYSA-N
Molecular Formula C13H10O2
533

Epinine HCl, MP Biomedicals

CAS: 62-32-8 Molecular Formula: C9H14ClNO2 Molecular Weight (g/mol): 203.67 MDL Number: MFCD00035074 InChI Key: JCDRZCWRRLKLTB-UHFFFAOYSA-N Synonym: n-methyldopamine hydrochloride,methyldopamine hydrochloride,epinine hydrochloride,ephinine hydrochloride,deoxyepinephrine hydrochloride,unii-zv3mg8pax3,zv3mg8pax3,3,4-dihydroxyphenylethylmethylamine hydrochloride,4-2-methylaminoethyl pyrocatechol hydrochloride,3,4-dihydroxyphenyl-1-methylamino-2-ethane hydrochloride PubChem CID: 86470 IUPAC Name: hydrogen 4-[2-(methylamino)ethyl]benzene-1,2-diol chloride SMILES: [H+].[Cl-].CNCCC1=CC=C(O)C(O)=C1

PubChem CID 86470
CAS 62-32-8
Molecular Weight (g/mol) 203.67
MDL Number MFCD00035074
SMILES [H+].[Cl-].CNCCC1=CC=C(O)C(O)=C1
Synonym n-methyldopamine hydrochloride,methyldopamine hydrochloride,epinine hydrochloride,ephinine hydrochloride,deoxyepinephrine hydrochloride,unii-zv3mg8pax3,zv3mg8pax3,3,4-dihydroxyphenylethylmethylamine hydrochloride,4-2-methylaminoethyl pyrocatechol hydrochloride,3,4-dihydroxyphenyl-1-methylamino-2-ethane hydrochloride
IUPAC Name hydrogen 4-[2-(methylamino)ethyl]benzene-1,2-diol chloride
InChI Key JCDRZCWRRLKLTB-UHFFFAOYSA-N
Molecular Formula C9H14ClNO2
534

4-Methoxyphenylacetic Acid 98.0+%, TCI America™

CAS: 104-01-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00004345 InChI Key: NRPFNQUDKRYCNX-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid PubChem CID: 7690 ChEBI: CHEBI:55501 IUPAC Name: 2-(4-methoxyphenyl)acetic acid SMILES: COC1=CC=C(C=C1)CC(=O)O

PubChem CID 7690
CAS 104-01-8
Molecular Weight (g/mol) 166.176
ChEBI CHEBI:55501
MDL Number MFCD00004345
SMILES COC1=CC=C(C=C1)CC(=O)O
Synonym 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid
IUPAC Name 2-(4-methoxyphenyl)acetic acid
InChI Key NRPFNQUDKRYCNX-UHFFFAOYSA-N
Molecular Formula C9H10O3
535

2-Hydroxy-5-methoxybenzaldehyde 96.0+%, TCI America™

CAS: 672-13-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00003332 InChI Key: FZHSPPYCNDYIKD-UHFFFAOYSA-N Synonym: 5-methoxysalicylaldehyde,m-anisaldehyde, 6-hydroxy,benzaldehyde, 2-hydroxy-5-methoxy,salicylaldehyde, 5-methoxy,6-hydroxy-m-anisaldehyde,2-hydroxy-5-methoxy-benzaldehyde,5-methoxy-2-hydroxybenzaldehyde,2-hydroxy-5-methoxy benzaldehyde,2-formyl-4-methoxyphenol,pubchem2649 PubChem CID: 95695 IUPAC Name: 2-hydroxy-5-methoxybenzaldehyde SMILES: COC1=CC(=C(C=C1)O)C=O

PubChem CID 95695
CAS 672-13-9
Molecular Weight (g/mol) 152.149
MDL Number MFCD00003332
SMILES COC1=CC(=C(C=C1)O)C=O
Synonym 5-methoxysalicylaldehyde,m-anisaldehyde, 6-hydroxy,benzaldehyde, 2-hydroxy-5-methoxy,salicylaldehyde, 5-methoxy,6-hydroxy-m-anisaldehyde,2-hydroxy-5-methoxy-benzaldehyde,5-methoxy-2-hydroxybenzaldehyde,2-hydroxy-5-methoxy benzaldehyde,2-formyl-4-methoxyphenol,pubchem2649
IUPAC Name 2-hydroxy-5-methoxybenzaldehyde
InChI Key FZHSPPYCNDYIKD-UHFFFAOYSA-N
Molecular Formula C8H8O3
536

Isobutyl Benzoate 99.0+%, TCI America™

CAS: 120-50-3 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00048344 InChI Key: KYZHGEFMXZOSJN-UHFFFAOYSA-N Synonym: isobutyl benzoate,benzoic acid, isobutyl ester,benzoic acid, 2-methylpropyl ester,unii-kq6xz9wjii,isobutyl benzoate natural,fema no. 2185,kq6xz9wjii,benzoic acid isobutyl ester,benzoic acid, isobutyl ester 6ci,7ci,8ci,iso-butyl benzoate PubChem CID: 61048 ChEBI: CHEBI:87500 IUPAC Name: 2-methylpropyl benzoate SMILES: CC(C)COC(=O)C1=CC=CC=C1

PubChem CID 61048
CAS 120-50-3
Molecular Weight (g/mol) 178.23
ChEBI CHEBI:87500
MDL Number MFCD00048344
SMILES CC(C)COC(=O)C1=CC=CC=C1
Synonym isobutyl benzoate,benzoic acid, isobutyl ester,benzoic acid, 2-methylpropyl ester,unii-kq6xz9wjii,isobutyl benzoate natural,fema no. 2185,kq6xz9wjii,benzoic acid isobutyl ester,benzoic acid, isobutyl ester 6ci,7ci,8ci,iso-butyl benzoate
IUPAC Name 2-methylpropyl benzoate
InChI Key KYZHGEFMXZOSJN-UHFFFAOYSA-N
Molecular Formula C11H14O2
537

4-Ethynylbenzaldehyde 98.0+%, TCI America™

CAS: 63697-96-1 Molecular Formula: C9H6O Molecular Weight (g/mol): 130.146 MDL Number: MFCD05664348 InChI Key: BGMHQBQFJYJLBP-UHFFFAOYSA-N Synonym: 4-ethynyl benzaldehyde,4-ethynyl-benzaldehyde,benzaldehyde, 4-ethynyl,benzaldehyde,4-ethynyl,p-ethynylbenzaldehyde,4-acetylenylbenzaldehyde,acmc-209x0m,4-ethynylbenzaldehyde,benzaldehyde, 4-ethynyl-9ci PubChem CID: 2771645 IUPAC Name: 4-ethynylbenzaldehyde SMILES: C#CC1=CC=C(C=C1)C=O

PubChem CID 2771645
CAS 63697-96-1
Molecular Weight (g/mol) 130.146
MDL Number MFCD05664348
SMILES C#CC1=CC=C(C=C1)C=O
Synonym 4-ethynyl benzaldehyde,4-ethynyl-benzaldehyde,benzaldehyde, 4-ethynyl,benzaldehyde,4-ethynyl,p-ethynylbenzaldehyde,4-acetylenylbenzaldehyde,acmc-209x0m,4-ethynylbenzaldehyde,benzaldehyde, 4-ethynyl-9ci
IUPAC Name 4-ethynylbenzaldehyde
InChI Key BGMHQBQFJYJLBP-UHFFFAOYSA-N
Molecular Formula C9H6O
538

2-Methyl-4-nitroaniline 98.0+%, TCI America™

CAS: 99-52-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007734 InChI Key: XTTIQGSLJBWVIV-UHFFFAOYSA-N Synonym: 2-amino-5-nitrotoluene,4-nitro-o-toluidine,5-nitro-2-aminotoluene,p-nitro-o-toluidine,benzenamine, 2-methyl-4-nitro,fast red rl base,1-amino-2-methyl-4-nitrobenzene,diabase red rl,ansibases red rl,devol red rl PubChem CID: 7441 IUPAC Name: 2-methyl-4-nitroaniline SMILES: CC1=CC(=CC=C1N)[N+]([O-])=O

PubChem CID 7441
CAS 99-52-5
Molecular Weight (g/mol) 152.15
MDL Number MFCD00007734
SMILES CC1=CC(=CC=C1N)[N+]([O-])=O
Synonym 2-amino-5-nitrotoluene,4-nitro-o-toluidine,5-nitro-2-aminotoluene,p-nitro-o-toluidine,benzenamine, 2-methyl-4-nitro,fast red rl base,1-amino-2-methyl-4-nitrobenzene,diabase red rl,ansibases red rl,devol red rl
IUPAC Name 2-methyl-4-nitroaniline
InChI Key XTTIQGSLJBWVIV-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
539

1,2-Bis[bis(pentafluorophenyl)phosphino]ethane 97.0+%, TCI America™

CAS: 76858-94-1 Molecular Formula: C26H4F20P2 Molecular Weight (g/mol): 758.23 MDL Number: MFCD00058841 InChI Key: IGLFIYOFKVGEBP-UHFFFAOYSA-N Synonym: 1,2-bis dipentafluorophenylphosphino ethane,1,2-bis bis pentafluorophenyl phosphino ethane,1,2-bis bis perfluorophenyl phosphino ethane,2-bis 2,3,4,5,6-pentafluorophenyl phosphanylethyl-bis 2,3,4,5,6-pentafluorophenyl phosphane,ethane-1,2-diylbis bis pentafluorophenyl phosphane,dfppe,pubchem6546,acmc-209p6f,ethylenebis bis pentafluorophenyl phosphine,bis dipentafluorophenylphosphine ethane PubChem CID: 2734566 IUPAC Name: {2-[bis(2,3,4,5,6-pentafluorophenyl)phosphanyl]ethyl}bis(2,3,4,5,6-pentafluorophenyl)phosphane SMILES: FC1=C(F)C(F)=C(P(CCP(C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F

PubChem CID 2734566
CAS 76858-94-1
Molecular Weight (g/mol) 758.23
MDL Number MFCD00058841
SMILES FC1=C(F)C(F)=C(P(CCP(C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F
Synonym 1,2-bis dipentafluorophenylphosphino ethane,1,2-bis bis pentafluorophenyl phosphino ethane,1,2-bis bis perfluorophenyl phosphino ethane,2-bis 2,3,4,5,6-pentafluorophenyl phosphanylethyl-bis 2,3,4,5,6-pentafluorophenyl phosphane,ethane-1,2-diylbis bis pentafluorophenyl phosphane,dfppe,pubchem6546,acmc-209p6f,ethylenebis bis pentafluorophenyl phosphine,bis dipentafluorophenylphosphine ethane
IUPAC Name {2-[bis(2,3,4,5,6-pentafluorophenyl)phosphanyl]ethyl}bis(2,3,4,5,6-pentafluorophenyl)phosphane
InChI Key IGLFIYOFKVGEBP-UHFFFAOYSA-N
Molecular Formula C26H4F20P2
540

2-Methylbenzoic Anhydride 98.0+%, TCI America™

CAS: 607-86-3 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.29 MDL Number: MFCD00048077 InChI Key: YLBSXJWDERHYFY-UHFFFAOYSA-N PubChem CID: 136405 IUPAC Name: 2-methylbenzoyl 2-methylbenzoate SMILES: CC1=CC=CC=C1C(=O)OC(=O)C1=CC=CC=C1C

PubChem CID 136405
CAS 607-86-3
Molecular Weight (g/mol) 254.29
MDL Number MFCD00048077
SMILES CC1=CC=CC=C1C(=O)OC(=O)C1=CC=CC=C1C
IUPAC Name 2-methylbenzoyl 2-methylbenzoate
InChI Key YLBSXJWDERHYFY-UHFFFAOYSA-N
Molecular Formula C16H14O3