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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 (129,916)
Phenols (25,079)
Naphthalenes (6,360)
Phenol esters (4,812)
Unsubstituted Phenols (1,436)
Fluorenes (1,294)
Thiophenols (761)
Anthracenes (515)
Indanes (488)
Phenanthrenes and derivatives (364)
Tetralins (336)
Pyrenes (277)
Triphenyl compounds (277)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (22)
Acenaphthylenes (16)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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3,016 – 3,030 of 158,802 results
3,016
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4-(Trifluoromethyl)phenylglyoxal hydrate, 98%, dry wt. basis

CAS: 1736-56-7 Molecular Formula: C9H5F3O2 Molecular Weight (g/mol): 202.132 MDL Number: MFCD05664098 InChI Key: BGOMXTCPIUNFKR-UHFFFAOYSA-N Synonym: 2-oxo-2-4-trifluoromethyl phenyl acetaldehyde,2-oxo-2-4-trifluoromethyl phenyl ethanal,2-oxidanylidene-2-4-trifluoromethyl phenyl ethanal,4-trifluoromethylphenyl oxo acetaldehyde,oxo 4-trifluoromethyl phenyl acetaldehyde,1-4-trifluoromethyl phenyl-1,2-ethanedione PubChem CID: 2783286 IUPAC Name: 2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde SMILES: C1=CC(=CC=C1C(=O)C=O)C(F)(F)F

PubChem CID 2783286
CAS 1736-56-7
Molecular Weight (g/mol) 202.132
MDL Number MFCD05664098
SMILES C1=CC(=CC=C1C(=O)C=O)C(F)(F)F
Synonym 2-oxo-2-4-trifluoromethyl phenyl acetaldehyde,2-oxo-2-4-trifluoromethyl phenyl ethanal,2-oxidanylidene-2-4-trifluoromethyl phenyl ethanal,4-trifluoromethylphenyl oxo acetaldehyde,oxo 4-trifluoromethyl phenyl acetaldehyde,1-4-trifluoromethyl phenyl-1,2-ethanedione
IUPAC Name 2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde
InChI Key BGOMXTCPIUNFKR-UHFFFAOYSA-N
Molecular Formula C9H5F3O2
3,017
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4-Fluorobenzyl chloride, 99%

CAS: 352-11-4 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00000913 InChI Key: IZXWCDITFDNEBY-UHFFFAOYSA-N Synonym: 4-fluorobenzyl chloride,1-chloromethyl-4-fluorobenzene,alpha-chloro-p-fluorotoluene,p-fluorobenzyl chloride,4-fluorobenzylchloride,benzene, 1-chloromethyl-4-fluoro,1-chloromethyl-4-fluoro-benzene,alpha-chloro-4-fluorotoluene,ccris 5107,chloro-4-fluorotoluene PubChem CID: 9602 IUPAC Name: 1-(chloromethyl)-4-fluorobenzene SMILES: C1=CC(=CC=C1CCl)F

PubChem CID 9602
CAS 352-11-4
Molecular Weight (g/mol) 144.573
MDL Number MFCD00000913
SMILES C1=CC(=CC=C1CCl)F
Synonym 4-fluorobenzyl chloride,1-chloromethyl-4-fluorobenzene,alpha-chloro-p-fluorotoluene,p-fluorobenzyl chloride,4-fluorobenzylchloride,benzene, 1-chloromethyl-4-fluoro,1-chloromethyl-4-fluoro-benzene,alpha-chloro-4-fluorotoluene,ccris 5107,chloro-4-fluorotoluene
IUPAC Name 1-(chloromethyl)-4-fluorobenzene
InChI Key IZXWCDITFDNEBY-UHFFFAOYSA-N
Molecular Formula C7H6ClF
3,018
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3,4,5-Trimethoxybenzyl alcohol, 98%

CAS: 3840-31-1 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.218 MDL Number: MFCD00004639 InChI Key: QPHLRCUCFDXGLY-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxybenzyl alcohol,3,4,5-trimethoxyphenyl methanol,benzenemethanol, 3,4,5-trimethoxy,3,4,5-trimethoxybenzylalcohol,3,4,5-trimethoxybenzylic alcohol,benzyl alcohol, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methan-1-ol,acmc-1cp7y,3,4,5-trimethoxybenzalcohol,ksc494s0n PubChem CID: 77449 IUPAC Name: (3,4,5-trimethoxyphenyl)methanol SMILES: COC1=CC(=CC(=C1OC)OC)CO

PubChem CID 77449
CAS 3840-31-1
Molecular Weight (g/mol) 198.218
MDL Number MFCD00004639
SMILES COC1=CC(=CC(=C1OC)OC)CO
Synonym 3,4,5-trimethoxybenzyl alcohol,3,4,5-trimethoxyphenyl methanol,benzenemethanol, 3,4,5-trimethoxy,3,4,5-trimethoxybenzylalcohol,3,4,5-trimethoxybenzylic alcohol,benzyl alcohol, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methan-1-ol,acmc-1cp7y,3,4,5-trimethoxybenzalcohol,ksc494s0n
IUPAC Name (3,4,5-trimethoxyphenyl)methanol
InChI Key QPHLRCUCFDXGLY-UHFFFAOYSA-N
Molecular Formula C10H14O4
3,019
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Benzyloxyacetaldehyde diethyl acetal, 98%

CAS: 42783-78-8 Molecular Formula: C13H20O3 Molecular Weight (g/mol): 224.3 MDL Number: MFCD00051786 InChI Key: VTYTZCJKJNWMGA-UHFFFAOYSA-N Synonym: 2,2-diethoxyethoxy methyl benzene,benzyloxyacetaldehyde diethyl acetal,benzene, 2,2-diethoxyethoxy methyl,acmc-20alp5,1,1-diethoxy-2-benzyloxy ethane,2,2-diethoxy-ethoxymethyl-benzene,2,2-diethoxy-1-phenylmethoxy ethane,2-benzyloxy acetaldehyde diethyl acetal PubChem CID: 4321487 IUPAC Name: 2,2-diethoxyethoxymethylbenzene SMILES: CCOC(COCC1=CC=CC=C1)OCC

PubChem CID 4321487
CAS 42783-78-8
Molecular Weight (g/mol) 224.3
MDL Number MFCD00051786
SMILES CCOC(COCC1=CC=CC=C1)OCC
Synonym 2,2-diethoxyethoxy methyl benzene,benzyloxyacetaldehyde diethyl acetal,benzene, 2,2-diethoxyethoxy methyl,acmc-20alp5,1,1-diethoxy-2-benzyloxy ethane,2,2-diethoxy-ethoxymethyl-benzene,2,2-diethoxy-1-phenylmethoxy ethane,2-benzyloxy acetaldehyde diethyl acetal
IUPAC Name 2,2-diethoxyethoxymethylbenzene
InChI Key VTYTZCJKJNWMGA-UHFFFAOYSA-N
Molecular Formula C13H20O3
3,020
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2-Bromo-5-methoxybenzyl bromide, 97%

CAS: 19614-12-1 Molecular Formula: C8H8Br2O Molecular Weight (g/mol): 279.959 MDL Number: MFCD00078664 InChI Key: MURVUTUZSUEIGI-UHFFFAOYSA-N Synonym: 2-bromo-5-methoxybenzyl bromide,1-bromo-2-bromomethyl-4-methoxybenzene,2-bromo-5-methoxybenzylbromide,4-bromo-3-bromomethyl anisole,2-bromo-5-methoxy-benzyl bromide,benzene, 1-bromo-2-bromomethyl-4-methoxy,4-bromo-3-bromomethyl-1-methoxybenzene,pubchem18176,acmc-20a5x2,4-bromo3-bromomethylanisole PubChem CID: 3525951 IUPAC Name: 1-bromo-2-(bromomethyl)-4-methoxybenzene SMILES: COC1=CC(=C(C=C1)Br)CBr

PubChem CID 3525951
CAS 19614-12-1
Molecular Weight (g/mol) 279.959
MDL Number MFCD00078664
SMILES COC1=CC(=C(C=C1)Br)CBr
Synonym 2-bromo-5-methoxybenzyl bromide,1-bromo-2-bromomethyl-4-methoxybenzene,2-bromo-5-methoxybenzylbromide,4-bromo-3-bromomethyl anisole,2-bromo-5-methoxy-benzyl bromide,benzene, 1-bromo-2-bromomethyl-4-methoxy,4-bromo-3-bromomethyl-1-methoxybenzene,pubchem18176,acmc-20a5x2,4-bromo3-bromomethylanisole
IUPAC Name 1-bromo-2-(bromomethyl)-4-methoxybenzene
InChI Key MURVUTUZSUEIGI-UHFFFAOYSA-N
Molecular Formula C8H8Br2O
3,021
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4-Chloroanisole, 99%

CAS: 623-12-1 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.58 InChI Key: YRGAYAGBVIXNAQ-UHFFFAOYSA-N Synonym: 4-chloroanisole,benzene, 1-chloro-4-methoxy,p-chloroanisole,p-chlorophenyl methyl ether,anisyl chloride,anisole, p-chloro,p-chloromethoxybenzene,4-chlorophenol methyl ether,1-chloro-4-methoxy-benzene,unii-0f18bly08q PubChem CID: 12167 IUPAC Name: 1-chloro-4-methoxybenzene SMILES: COC1=CC=C(C=C1)Cl

PubChem CID 12167
CAS 623-12-1
Molecular Weight (g/mol) 142.58
SMILES COC1=CC=C(C=C1)Cl
Synonym 4-chloroanisole,benzene, 1-chloro-4-methoxy,p-chloroanisole,p-chlorophenyl methyl ether,anisyl chloride,anisole, p-chloro,p-chloromethoxybenzene,4-chlorophenol methyl ether,1-chloro-4-methoxy-benzene,unii-0f18bly08q
IUPAC Name 1-chloro-4-methoxybenzene
InChI Key YRGAYAGBVIXNAQ-UHFFFAOYSA-N
Molecular Formula C7H7ClO
3,022
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4-Bromoanisole, 99%

CAS: 104-92-7 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.036 MDL Number: MFCD00000097 InChI Key: QJPJQTDYNZXKQF-UHFFFAOYSA-N Synonym: 4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide PubChem CID: 7730 ChEBI: CHEBI:47257 IUPAC Name: 1-bromo-4-methoxybenzene SMILES: COC1=CC=C(C=C1)Br

PubChem CID 7730
CAS 104-92-7
Molecular Weight (g/mol) 187.036
ChEBI CHEBI:47257
MDL Number MFCD00000097
SMILES COC1=CC=C(C=C1)Br
Synonym 4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide
IUPAC Name 1-bromo-4-methoxybenzene
InChI Key QJPJQTDYNZXKQF-UHFFFAOYSA-N
Molecular Formula C7H7BrO
3,023
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4-Fluoroanisole, 99%

CAS: 459-60-9 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00000348 InChI Key: VIPWUFMFHBIKQI-UHFFFAOYSA-N Synonym: 4-fluoroanisole,p-fluoroanisole,benzene, 1-fluoro-4-methoxy,p-fluoromethoxybenzene,p-methoxyfluorobenzene,4-fluoroanisol,p-fluorophenyl methyl ether,anisole, p-fluoro,1-fluoro-4-methoxy-benzene,4-methoxyfluorobenzene PubChem CID: 9987 IUPAC Name: 1-fluoro-4-methoxybenzene SMILES: COC1=CC=C(C=C1)F

PubChem CID 9987
CAS 459-60-9
Molecular Weight (g/mol) 126.13
MDL Number MFCD00000348
SMILES COC1=CC=C(C=C1)F
Synonym 4-fluoroanisole,p-fluoroanisole,benzene, 1-fluoro-4-methoxy,p-fluoromethoxybenzene,p-methoxyfluorobenzene,4-fluoroanisol,p-fluorophenyl methyl ether,anisole, p-fluoro,1-fluoro-4-methoxy-benzene,4-methoxyfluorobenzene
IUPAC Name 1-fluoro-4-methoxybenzene
InChI Key VIPWUFMFHBIKQI-UHFFFAOYSA-N
Molecular Formula C7H7FO
3,024
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4-Fluorobenzyl bromide, 97%

CAS: 459-46-1 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.03 MDL Number: MFCD00000359 InChI Key: NVNPLEPBDPJYRZ-UHFFFAOYSA-N Synonym: 4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide PubChem CID: 68021 IUPAC Name: 1-(bromomethyl)-4-fluorobenzene SMILES: FC1=CC=C(CBr)C=C1

PubChem CID 68021
CAS 459-46-1
Molecular Weight (g/mol) 189.03
MDL Number MFCD00000359
SMILES FC1=CC=C(CBr)C=C1
Synonym 4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide
IUPAC Name 1-(bromomethyl)-4-fluorobenzene
InChI Key NVNPLEPBDPJYRZ-UHFFFAOYSA-N
Molecular Formula C7H6BrF
3,025
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4-Methoxybenzyl alcohol, 98%

CAS: 105-13-5 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004653 InChI Key: MSHFRERJPWKJFX-UHFFFAOYSA-N Synonym: 4-methoxybenzyl alcohol,4-methoxyphenyl methanol,anise alcohol,anisyl alcohol,p-anisyl alcohol,p-methoxybenzyl alcohol,benzenemethanol, 4-methoxy,anisic alcohol,p-anisol alcohol,4-methoxybenzenemethanol PubChem CID: 7738 ChEBI: CHEBI:86918 IUPAC Name: (4-methoxyphenyl)methanol SMILES: COC1=CC=C(CO)C=C1

PubChem CID 7738
CAS 105-13-5
Molecular Weight (g/mol) 138.17
ChEBI CHEBI:86918
MDL Number MFCD00004653
SMILES COC1=CC=C(CO)C=C1
Synonym 4-methoxybenzyl alcohol,4-methoxyphenyl methanol,anise alcohol,anisyl alcohol,p-anisyl alcohol,p-methoxybenzyl alcohol,benzenemethanol, 4-methoxy,anisic alcohol,p-anisol alcohol,4-methoxybenzenemethanol
IUPAC Name (4-methoxyphenyl)methanol
InChI Key MSHFRERJPWKJFX-UHFFFAOYSA-N
Molecular Formula C8H10O2
3,026
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2-Nitrophenylacetonitrile, 98%

CAS: 610-66-2 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00007183 InChI Key: YPRFCQAWSNWRLM-UHFFFAOYSA-N Synonym: 2-nitrophenylacetonitrile,2-2-nitrophenyl acetonitrile,2-nitrophenyl acetonitrile,benzeneacetonitrile, 2-nitro,2-nitrobenzyl cyanide,o-nitrophenyl acetonitrile,o-nitrobenzacetonitrile,2-nitrobenzeneacetonitrile,2-nitrobenzyl nitrile,acetonitrile, o-nitrophenyl PubChem CID: 11888 IUPAC Name: 2-(2-nitrophenyl)acetonitrile SMILES: [O-][N+](=O)C1=CC=CC=C1CC#N

PubChem CID 11888
CAS 610-66-2
Molecular Weight (g/mol) 162.15
MDL Number MFCD00007183
SMILES [O-][N+](=O)C1=CC=CC=C1CC#N
Synonym 2-nitrophenylacetonitrile,2-2-nitrophenyl acetonitrile,2-nitrophenyl acetonitrile,benzeneacetonitrile, 2-nitro,2-nitrobenzyl cyanide,o-nitrophenyl acetonitrile,o-nitrobenzacetonitrile,2-nitrobenzeneacetonitrile,2-nitrobenzyl nitrile,acetonitrile, o-nitrophenyl
IUPAC Name 2-(2-nitrophenyl)acetonitrile
InChI Key YPRFCQAWSNWRLM-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
3,027
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4-Aminobenzyl alcohol, 98%

CAS: 623-04-1 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00014782 InChI Key: AXKGIPZJYUNAIW-UHFFFAOYSA-N Synonym: 4-aminobenzyl alcohol,4-aminophenyl methanol,4-aminobenzylalcohol,4-hydroxymethyl aniline,p-aminobenzyl alcohol,p-aminobenzylalcohol,benzenemethanol, 4-amino,benzyl alcohol, p-amino,4-amino-benzylalcohol,pubchem7480 PubChem CID: 69331 IUPAC Name: (4-aminophenyl)methanol SMILES: NC1=CC=C(CO)C=C1

PubChem CID 69331
CAS 623-04-1
Molecular Weight (g/mol) 123.16
MDL Number MFCD00014782
SMILES NC1=CC=C(CO)C=C1
Synonym 4-aminobenzyl alcohol,4-aminophenyl methanol,4-aminobenzylalcohol,4-hydroxymethyl aniline,p-aminobenzyl alcohol,p-aminobenzylalcohol,benzenemethanol, 4-amino,benzyl alcohol, p-amino,4-amino-benzylalcohol,pubchem7480
IUPAC Name (4-aminophenyl)methanol
InChI Key AXKGIPZJYUNAIW-UHFFFAOYSA-N
Molecular Formula C7H9NO
3,028
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(3-Methoxyphenyl)acetonitrile, 97%, Thermo Scientific™

CAS: 19924-43-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00001910 InChI Key: LXKNAUOWEJWGTE-UHFFFAOYSA-N Synonym: 3-methoxyphenyl acetonitrile,2-3-methoxyphenyl acetonitrile,3-methoxyphenylacetonitrile,3-methoxybenzyl cyanide,m-methoxyphenyl acetonitrile,3-cyanomethyl anisole,benzeneacetonitrile, 3-methoxy,3-methoxybenzeneacetonitrile,m-methoxybenzyl cyanide,2-3-methoxyphenyl ethanenitrile PubChem CID: 88310 IUPAC Name: 2-(3-methoxyphenyl)acetonitrile SMILES: COC1=CC=CC(=C1)CC#N

PubChem CID 88310
CAS 19924-43-7
Molecular Weight (g/mol) 147.18
MDL Number MFCD00001910
SMILES COC1=CC=CC(=C1)CC#N
Synonym 3-methoxyphenyl acetonitrile,2-3-methoxyphenyl acetonitrile,3-methoxyphenylacetonitrile,3-methoxybenzyl cyanide,m-methoxyphenyl acetonitrile,3-cyanomethyl anisole,benzeneacetonitrile, 3-methoxy,3-methoxybenzeneacetonitrile,m-methoxybenzyl cyanide,2-3-methoxyphenyl ethanenitrile
IUPAC Name 2-(3-methoxyphenyl)acetonitrile
InChI Key LXKNAUOWEJWGTE-UHFFFAOYSA-N
Molecular Formula C9H9NO
3,029
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2-Methyl-3-nitrobenzyl chloride, 97%, Thermo Scientific™

CAS: 60468-54-4 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.61 MDL Number: MFCD00007165 InChI Key: XZNDXQGZPOZITR-UHFFFAOYSA-N Synonym: 2-methyl-3-nitrobenzyl chloride,1-chloromethyl-2-methyl-3-nitrobenzene,alpha-chloro-2-methyl-3-nitrotoluene,1-chloromethyl-2-methyl-3-nitro-benzene,2-methyl-3-nitrobenzylchloride,benzene, 1-chloromethyl-2-methyl-3-nitro,acmc-1b2j5,ksc497o8t,2-chloromethyl-6-nitrotoluene PubChem CID: 108947 IUPAC Name: 1-(chloromethyl)-2-methyl-3-nitrobenzene SMILES: CC1=C(CCl)C=CC=C1[N+]([O-])=O

PubChem CID 108947
CAS 60468-54-4
Molecular Weight (g/mol) 185.61
MDL Number MFCD00007165
SMILES CC1=C(CCl)C=CC=C1[N+]([O-])=O
Synonym 2-methyl-3-nitrobenzyl chloride,1-chloromethyl-2-methyl-3-nitrobenzene,alpha-chloro-2-methyl-3-nitrotoluene,1-chloromethyl-2-methyl-3-nitro-benzene,2-methyl-3-nitrobenzylchloride,benzene, 1-chloromethyl-2-methyl-3-nitro,acmc-1b2j5,ksc497o8t,2-chloromethyl-6-nitrotoluene
IUPAC Name 1-(chloromethyl)-2-methyl-3-nitrobenzene
InChI Key XZNDXQGZPOZITR-UHFFFAOYSA-N
Molecular Formula C8H8ClNO2