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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 (130,195)
Phenols (25,097)
Naphthalenes (6,366)
Phenol esters (4,814)
Unsubstituted Phenols (1,453)
Fluorenes (1,280)
Thiophenols (762)
Anthracenes (515)
Indanes (488)
Phenanthrenes and derivatives (364)
Tetralins (337)
Triphenyl compounds (278)
Pyrenes (277)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (16)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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3,106 – 3,120 of 159,106 results
3,106
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4',7-Dimethoxyisoflavone, 97%

CAS: 1157-39-7 Molecular Formula: C17H14O4 Molecular Weight (g/mol): 282.295 MDL Number: MFCD00075889 InChI Key: LPNBCGIVZXHHHO-UHFFFAOYSA-N Synonym: 4',7-dimethoxyisoflavone,7,4'-dimethoxyisoflavone,7-methoxy-3-4-methoxyphenyl-4h-chromen-4-one,7,4'-di-o-methyldaidzein,unii-f5547dw3co,7-methoxy-3-4-methoxyphenyl chromen-4-one,daidzein dimethyl ether,spectrum_000697,specplus_000113,spectrum2_000185 PubChem CID: 136419 IUPAC Name: 7-methoxy-3-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC

PubChem CID 136419
CAS 1157-39-7
Molecular Weight (g/mol) 282.295
MDL Number MFCD00075889
SMILES COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC
Synonym 4',7-dimethoxyisoflavone,7,4'-dimethoxyisoflavone,7-methoxy-3-4-methoxyphenyl-4h-chromen-4-one,7,4'-di-o-methyldaidzein,unii-f5547dw3co,7-methoxy-3-4-methoxyphenyl chromen-4-one,daidzein dimethyl ether,spectrum_000697,specplus_000113,spectrum2_000185
IUPAC Name 7-methoxy-3-(4-methoxyphenyl)chromen-4-one
InChI Key LPNBCGIVZXHHHO-UHFFFAOYSA-N
Molecular Formula C17H14O4
3,107
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5-Bromo-1,2,3-trimethoxybenzene, 97%

CAS: 2675-79-8 Molecular Formula: C9H11BrO3 Molecular Weight (g/mol): 247.09 MDL Number: MFCD00017169 InChI Key: XAOOZMATJDXDQJ-UHFFFAOYSA-N Synonym: 1-bromo-3,4,5-trimethoxybenzene,3,4,5-trimethoxybromobenzene,bromotrimethoxybenzene,benzene, 5-bromo-1,2,3-trimethoxy,5-bromo-1,2,3-trimethoxy-benzene,pubchem10980,3,4,5-trimethoxybromoben,ksc490o1d,3,4,5-trimethoxyphenylbromide,3,4,5-triemethoxyphenylbromide PubChem CID: 75885 IUPAC Name: 5-bromo-1,2,3-trimethoxybenzene SMILES: COC1=CC(Br)=CC(OC)=C1OC

PubChem CID 75885
CAS 2675-79-8
Molecular Weight (g/mol) 247.09
MDL Number MFCD00017169
SMILES COC1=CC(Br)=CC(OC)=C1OC
Synonym 1-bromo-3,4,5-trimethoxybenzene,3,4,5-trimethoxybromobenzene,bromotrimethoxybenzene,benzene, 5-bromo-1,2,3-trimethoxy,5-bromo-1,2,3-trimethoxy-benzene,pubchem10980,3,4,5-trimethoxybromoben,ksc490o1d,3,4,5-trimethoxyphenylbromide,3,4,5-triemethoxyphenylbromide
IUPAC Name 5-bromo-1,2,3-trimethoxybenzene
InChI Key XAOOZMATJDXDQJ-UHFFFAOYSA-N
Molecular Formula C9H11BrO3
3,108
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4-Ethylanisole, 98+%

CAS: 1515-95-3 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00015176 InChI Key: HDNRAPAFJLXKBV-UHFFFAOYSA-N Synonym: 4-ethylanisole,p-ethylanisole,benzene, 1-ethyl-4-methoxy,anisole, p-ethyl,p-ethylanisol,unii-i71p5qg20s,4-ethyl-1-methoxybenzene,4-ethyl anisole,4-ethylmethoxybenzene,acmc-1btzv PubChem CID: 73690 IUPAC Name: 1-ethyl-4-methoxybenzene SMILES: CCC1=CC=C(C=C1)OC

PubChem CID 73690
CAS 1515-95-3
Molecular Weight (g/mol) 136.194
MDL Number MFCD00015176
SMILES CCC1=CC=C(C=C1)OC
Synonym 4-ethylanisole,p-ethylanisole,benzene, 1-ethyl-4-methoxy,anisole, p-ethyl,p-ethylanisol,unii-i71p5qg20s,4-ethyl-1-methoxybenzene,4-ethyl anisole,4-ethylmethoxybenzene,acmc-1btzv
IUPAC Name 1-ethyl-4-methoxybenzene
InChI Key HDNRAPAFJLXKBV-UHFFFAOYSA-N
Molecular Formula C9H12O
3,109
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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
3,110
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(R)-(+)-1-(3-Methoxyphenyl)ethylamine, ChiPros 99+%, ee 98%

CAS: 88196-70-7 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00671655 InChI Key: CJWGCBRQAHCVHW-SSDOTTSWSA-N Synonym: r-1-3-methoxyphenyl ethanamine,r-1-3-methoxyphenyl ethylamine,1-r-3-methoxyphenol ethylamine,1r-1-3-methoxyphenyl ethanamine,1r-1-3-methoxyphenyl ethan-1-amine,r-+-1-3-methoxyphenyl ethylamine,phenol,3-1r-1-aminoethyl,1r-1-3-methoxyphenyl ethylamine,r-3-methoxy-alpha-methylbenzylamine,r-1 3-methoxyphenyl ethylamine PubChem CID: 7020759 IUPAC Name: (1R)-1-(3-methoxyphenyl)ethanamine SMILES: CC(C1=CC(=CC=C1)OC)N

PubChem CID 7020759
CAS 88196-70-7
Molecular Weight (g/mol) 151.209
MDL Number MFCD00671655
SMILES CC(C1=CC(=CC=C1)OC)N
Synonym r-1-3-methoxyphenyl ethanamine,r-1-3-methoxyphenyl ethylamine,1-r-3-methoxyphenol ethylamine,1r-1-3-methoxyphenyl ethanamine,1r-1-3-methoxyphenyl ethan-1-amine,r-+-1-3-methoxyphenyl ethylamine,phenol,3-1r-1-aminoethyl,1r-1-3-methoxyphenyl ethylamine,r-3-methoxy-alpha-methylbenzylamine,r-1 3-methoxyphenyl ethylamine
IUPAC Name (1R)-1-(3-methoxyphenyl)ethanamine
InChI Key CJWGCBRQAHCVHW-SSDOTTSWSA-N
Molecular Formula C9H13NO
3,111
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2,4-Dichloroanisole, 99%

CAS: 553-82-2 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.02 MDL Number: MFCD00044772 InChI Key: CICQUFBZCADHHX-UHFFFAOYSA-N Synonym: 2,4-dichloroanisole,benzene, 2,4-dichloro-1-methoxy,1,5-dichloro-2-methoxybenzene,2,4-dichloro-1-methoxy-benzene,anisole, 2,4-dichloro,2,4-dichloromethoxybenzene,anisole,4-dichloro,acmc-209lmo,ksc273i7j PubChem CID: 11119 IUPAC Name: 2,4-dichloro-1-methoxybenzene SMILES: COC1=CC=C(Cl)C=C1Cl

PubChem CID 11119
CAS 553-82-2
Molecular Weight (g/mol) 177.02
MDL Number MFCD00044772
SMILES COC1=CC=C(Cl)C=C1Cl
Synonym 2,4-dichloroanisole,benzene, 2,4-dichloro-1-methoxy,1,5-dichloro-2-methoxybenzene,2,4-dichloro-1-methoxy-benzene,anisole, 2,4-dichloro,2,4-dichloromethoxybenzene,anisole,4-dichloro,acmc-209lmo,ksc273i7j
IUPAC Name 2,4-dichloro-1-methoxybenzene
InChI Key CICQUFBZCADHHX-UHFFFAOYSA-N
Molecular Formula C7H6Cl2O
3,112
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2-Bromo-4-methoxyphenylacetic acid, 97%

CAS: 66916-99-2 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.07 MDL Number: MFCD02664700 InChI Key: XQELSBAAFMYSMG-UHFFFAOYSA-N Synonym: 2-bromo-4-methoxyphenylacetic acid,2-2-bromo-4-methoxyphenyl acetic acid,2-bromo-4-methoxyphenyl acetic acid,benzeneacetic acid, 2-bromo-4-methoxy,2-bromo-4-methoxyphenylacetci acid,pubchem3983,2-2-bromo-4-methoxy-phenyl acetic acid,benzeneacetic acid,2-bromo-4-methoxy,2-bromo-4-methoxy-phenyl-acetic acid PubChem CID: 3963668 IUPAC Name: 2-(2-bromo-4-methoxyphenyl)acetic acid SMILES: COC1=CC(Br)=C(CC(O)=O)C=C1

PubChem CID 3963668
CAS 66916-99-2
Molecular Weight (g/mol) 245.07
MDL Number MFCD02664700
SMILES COC1=CC(Br)=C(CC(O)=O)C=C1
Synonym 2-bromo-4-methoxyphenylacetic acid,2-2-bromo-4-methoxyphenyl acetic acid,2-bromo-4-methoxyphenyl acetic acid,benzeneacetic acid, 2-bromo-4-methoxy,2-bromo-4-methoxyphenylacetci acid,pubchem3983,2-2-bromo-4-methoxy-phenyl acetic acid,benzeneacetic acid,2-bromo-4-methoxy,2-bromo-4-methoxy-phenyl-acetic acid
IUPAC Name 2-(2-bromo-4-methoxyphenyl)acetic acid
InChI Key XQELSBAAFMYSMG-UHFFFAOYSA-N
Molecular Formula C9H9BrO3
3,113
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3-Fluoroanisole, 98%, Thermo Scientific™

CAS: 456-49-5 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00000335 InChI Key: MFJNOXOAIFNSBX-UHFFFAOYSA-N Synonym: 3-fluoroanisole,m-fluoroanisole,benzene, 1-fluoro-3-methoxy,1-fluoro-3-methoxy-benzene,2-fluoro-4-methoxybenzene,fr co1 wln,3-fluoroanisol,3-fluoro-anisole,3-fluoro anisole,anisole, m-fluoro PubChem CID: 9975 IUPAC Name: 1-fluoro-3-methoxybenzene SMILES: COC1=CC=CC(F)=C1

PubChem CID 9975
CAS 456-49-5
Molecular Weight (g/mol) 126.13
MDL Number MFCD00000335
SMILES COC1=CC=CC(F)=C1
Synonym 3-fluoroanisole,m-fluoroanisole,benzene, 1-fluoro-3-methoxy,1-fluoro-3-methoxy-benzene,2-fluoro-4-methoxybenzene,fr co1 wln,3-fluoroanisol,3-fluoro-anisole,3-fluoro anisole,anisole, m-fluoro
IUPAC Name 1-fluoro-3-methoxybenzene
InChI Key MFJNOXOAIFNSBX-UHFFFAOYSA-N
Molecular Formula C7H7FO
3,114
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5-Fluoro-2-methylanisole, 98%

CAS: 95729-22-9 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.157 MDL Number: MFCD00673008 InChI Key: CXTIUQIZWCABPV-UHFFFAOYSA-N Synonym: 5-fluoro-2-methylanisole,4-fluoro-2-methoxytoluene,4-fluoro-2-methoxy-1-methyl-benzene,pubchem2624,1-methyl-2-methoxy-4-fluorobenzene,5-fluoro-2-methylphenyl methyl ether,4-fluoranyl-2-methoxy-1-methyl-benzene,benzene, 4-fluoro-2-methoxy-1-methyl PubChem CID: 2774573 IUPAC Name: 4-fluoro-2-methoxy-1-methylbenzene SMILES: CC1=C(C=C(C=C1)F)OC

PubChem CID 2774573
CAS 95729-22-9
Molecular Weight (g/mol) 140.157
MDL Number MFCD00673008
SMILES CC1=C(C=C(C=C1)F)OC
Synonym 5-fluoro-2-methylanisole,4-fluoro-2-methoxytoluene,4-fluoro-2-methoxy-1-methyl-benzene,pubchem2624,1-methyl-2-methoxy-4-fluorobenzene,5-fluoro-2-methylphenyl methyl ether,4-fluoranyl-2-methoxy-1-methyl-benzene,benzene, 4-fluoro-2-methoxy-1-methyl
IUPAC Name 4-fluoro-2-methoxy-1-methylbenzene
InChI Key CXTIUQIZWCABPV-UHFFFAOYSA-N
Molecular Formula C8H9FO
3,115
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2-Bromo-5-chloroanisole, 98+%

CAS: 174913-09-8 Molecular Formula: C7H6BrClO Molecular Weight (g/mol): 221.478 MDL Number: MFCD03790889 InChI Key: CQGYLDZGJLVLMK-UHFFFAOYSA-N Synonym: 2-bromo-5-chloroanisole,benzene, 1-bromo-4-chloro-2-methoxy,pubchem5265,acmc-1c20c,ksc497i0p,2-bromo-5-chloroanisole, 98+%,2-methoxy-4-chloro-1-bromobenzene,1-bromo-4-chloro-2-methoxy-benzene PubChem CID: 17984845 IUPAC Name: 1-bromo-4-chloro-2-methoxybenzene SMILES: COC1=C(C=CC(=C1)Cl)Br

PubChem CID 17984845
CAS 174913-09-8
Molecular Weight (g/mol) 221.478
MDL Number MFCD03790889
SMILES COC1=C(C=CC(=C1)Cl)Br
Synonym 2-bromo-5-chloroanisole,benzene, 1-bromo-4-chloro-2-methoxy,pubchem5265,acmc-1c20c,ksc497i0p,2-bromo-5-chloroanisole, 98+%,2-methoxy-4-chloro-1-bromobenzene,1-bromo-4-chloro-2-methoxy-benzene
IUPAC Name 1-bromo-4-chloro-2-methoxybenzene
InChI Key CQGYLDZGJLVLMK-UHFFFAOYSA-N
Molecular Formula C7H6BrClO
3,116
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5-Methoxy-2-nitroaniline, 98%

CAS: 16133-49-6 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.152 MDL Number: MFCD00179573 InChI Key: QEHVRGACCVLLNN-UHFFFAOYSA-N Synonym: 5-methoxy-2-nitrophenylamine,3-amino-4-nitroanisole,5methoxy-2-nitroaniline,5-methoxy-2-nitrobenzenamine,3-amino-4-nitro-anisol,2-nitro-5-methoxyaniline,5-methoxy-2-nitro-aniline,benzenamine, 5-methoxy-2-nitro,benzenamine,5-methoxy-2-nitro,5-methoxy-2-nitro-phenylamine PubChem CID: 85300 IUPAC Name: 5-methoxy-2-nitroaniline SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])N

PubChem CID 85300
CAS 16133-49-6
Molecular Weight (g/mol) 168.152
MDL Number MFCD00179573
SMILES COC1=CC(=C(C=C1)[N+](=O)[O-])N
Synonym 5-methoxy-2-nitrophenylamine,3-amino-4-nitroanisole,5methoxy-2-nitroaniline,5-methoxy-2-nitrobenzenamine,3-amino-4-nitro-anisol,2-nitro-5-methoxyaniline,5-methoxy-2-nitro-aniline,benzenamine, 5-methoxy-2-nitro,benzenamine,5-methoxy-2-nitro,5-methoxy-2-nitro-phenylamine
IUPAC Name 5-methoxy-2-nitroaniline
InChI Key QEHVRGACCVLLNN-UHFFFAOYSA-N
Molecular Formula C7H8N2O3
3,117
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2-Bromo-4-nitro-1-(trifluoromethoxy)benzene, 98%

CAS: 200958-40-3 Molecular Formula: C7H3BrF3NO3 Molecular Weight (g/mol): 286.00 MDL Number: MFCD04973758 InChI Key: LVTAFGFYMLODQP-UHFFFAOYSA-N PubChem CID: 24721641 IUPAC Name: 2-bromo-4-nitro-1-(trifluoromethoxy)benzene SMILES: [O-][N+](=O)C1=CC(Br)=C(OC(F)(F)F)C=C1

PubChem CID 24721641
CAS 200958-40-3
Molecular Weight (g/mol) 286.00
MDL Number MFCD04973758
SMILES [O-][N+](=O)C1=CC(Br)=C(OC(F)(F)F)C=C1
IUPAC Name 2-bromo-4-nitro-1-(trifluoromethoxy)benzene
InChI Key LVTAFGFYMLODQP-UHFFFAOYSA-N
Molecular Formula C7H3BrF3NO3
3,118
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3-Nitrophthalic acid, 95%

CAS: 603-11-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007138 InChI Key: KFIRODWJCYBBHY-UHFFFAOYSA-N Synonym: 3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid PubChem CID: 69043 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

PubChem CID 69043
CAS 603-11-2
Molecular Weight (g/mol) 211.129
MDL Number MFCD00007138
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
Synonym 3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid
InChI Key KFIRODWJCYBBHY-UHFFFAOYSA-N
Molecular Formula C8H5NO6
3,119
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Benzhydrol, 99%

CAS: 91-01-0 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.24 MDL Number: MFCD00004488 InChI Key: QILSFLSDHQAZET-UHFFFAOYSA-N Synonym: benzhydrol,diphenylcarbinol,benzohydrol,benzhydryl alcohol,hydroxydiphenylmethane,diphenylmethyl alcohol,diphenyl carbinol,alpha-phenylbenzenemethanol,diphenyl-methanol,benzenemethanol, .alpha.-phenyl PubChem CID: 7037 IUPAC Name: diphenylmethanol SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)O

PubChem CID 7037
CAS 91-01-0
Molecular Weight (g/mol) 184.24
MDL Number MFCD00004488
SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)O
Synonym benzhydrol,diphenylcarbinol,benzohydrol,benzhydryl alcohol,hydroxydiphenylmethane,diphenylmethyl alcohol,diphenyl carbinol,alpha-phenylbenzenemethanol,diphenyl-methanol,benzenemethanol, .alpha.-phenyl
IUPAC Name diphenylmethanol
InChI Key QILSFLSDHQAZET-UHFFFAOYSA-N
Molecular Formula C13H12O
3,120
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3-Bromoanisole, 99+%

CAS: 2398-37-0 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00000081 InChI Key: PLDWAJLZAAHOGG-UHFFFAOYSA-N Synonym: 3-bromoanisole,m-bromoanisole,3-methoxybromobenzene,3-bromo anisole,m-bromomethoxybenzene,benzene, 1-bromo-3-methoxy,anisole, m-bromo,3-methoxy-1-bromobenzene,m-methoxybromobenzene,meta-bromoanisole PubChem CID: 16971 IUPAC Name: 1-bromo-3-methoxybenzene SMILES: COC1=CC=CC(Br)=C1

PubChem CID 16971
CAS 2398-37-0
Molecular Weight (g/mol) 187.04
MDL Number MFCD00000081
SMILES COC1=CC=CC(Br)=C1
Synonym 3-bromoanisole,m-bromoanisole,3-methoxybromobenzene,3-bromo anisole,m-bromomethoxybenzene,benzene, 1-bromo-3-methoxy,anisole, m-bromo,3-methoxy-1-bromobenzene,m-methoxybromobenzene,meta-bromoanisole
IUPAC Name 1-bromo-3-methoxybenzene
InChI Key PLDWAJLZAAHOGG-UHFFFAOYSA-N
Molecular Formula C7H7BrO