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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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331 – 345 of 55,094 results
331

3-(Dimethylamino)benzyl alcohol, 95%

CAS: 23501-93-1 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00017342 InChI Key: YTUXZVSDDHCTBZ-UHFFFAOYSA-N Synonym: 3-dimethylamino phenyl methanol,3-dimethylamino benzyl alcohol,3-dimethylaminobenzyl alcohol,m-dimethylamino benzyl alcohol,benzenemethanol,3-dimethylamino,3-dimethylamino phenyl methan-1-ol,benzyl alcohol, m-dimethylamino,benzenemethanol, 3-dimethylamino PubChem CID: 90133 IUPAC Name: [3-(dimethylamino)phenyl]methanol SMILES: CN(C)C1=CC=CC(=C1)CO

EDGE
PubChem CID 90133
CAS 23501-93-1
Molecular Weight (g/mol) 151.21
MDL Number MFCD00017342
SMILES CN(C)C1=CC=CC(=C1)CO
Synonym 3-dimethylamino phenyl methanol,3-dimethylamino benzyl alcohol,3-dimethylaminobenzyl alcohol,m-dimethylamino benzyl alcohol,benzenemethanol,3-dimethylamino,3-dimethylamino phenyl methan-1-ol,benzyl alcohol, m-dimethylamino,benzenemethanol, 3-dimethylamino
IUPAC Name [3-(dimethylamino)phenyl]methanol
InChI Key YTUXZVSDDHCTBZ-UHFFFAOYSA-N
Molecular Formula C9H13NO
332

4-Benzyloxybromobenzene, 97%

CAS: 6793-92-6 Molecular Formula: C13H11BrO Molecular Weight (g/mol): 263.14 InChI Key: OUQSGILAXUXMGI-UHFFFAOYSA-N Synonym: 4-benzyloxybromobenzene,1-benzyloxy-4-bromobenzene,1-bromo-4-phenylmethoxy benzene,1-bromo-4-benzyloxybenzene,4-benzyloxy bromobenzene,1-benzyloxy-4-bromo-benzene,1-bromo-4-phenylmethyl oxy benzene,4-benzyloxy-bromobenzene,p-benzyloxy bromobenzene PubChem CID: 138835 IUPAC Name: 1-bromo-4-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)Br

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PubChem CID 138835
CAS 6793-92-6
Molecular Weight (g/mol) 263.14
SMILES C1=CC=C(C=C1)COC2=CC=C(C=C2)Br
Synonym 4-benzyloxybromobenzene,1-benzyloxy-4-bromobenzene,1-bromo-4-phenylmethoxy benzene,1-bromo-4-benzyloxybenzene,4-benzyloxy bromobenzene,1-benzyloxy-4-bromo-benzene,1-bromo-4-phenylmethyl oxy benzene,4-benzyloxy-bromobenzene,p-benzyloxy bromobenzene
IUPAC Name 1-bromo-4-phenylmethoxybenzene
InChI Key OUQSGILAXUXMGI-UHFFFAOYSA-N
Molecular Formula C13H11BrO
333

4-Iodophenylacetic acid, 97%

CAS: 1798-06-7 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.05 InChI Key: FJSHTWVDFAUNCO-UHFFFAOYSA-N Synonym: 4-iodophenylacetic acid,2-4-iodophenyl acetic acid,4-iodophenyl acetic acid,4-iodophenylaceticacid,p-iodophenylacetic acid,benzeneacetic acid, 4-iodo,4-iodo-phenyl-acetic acid,pubchem18835,4-iodoohenylacetic acid,4-iodobenzeneacetic acid PubChem CID: 137214 IUPAC Name: 2-(4-iodophenyl)acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)I

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PubChem CID 137214
CAS 1798-06-7
Molecular Weight (g/mol) 262.05
SMILES C1=CC(=CC=C1CC(=O)O)I
Synonym 4-iodophenylacetic acid,2-4-iodophenyl acetic acid,4-iodophenyl acetic acid,4-iodophenylaceticacid,p-iodophenylacetic acid,benzeneacetic acid, 4-iodo,4-iodo-phenyl-acetic acid,pubchem18835,4-iodoohenylacetic acid,4-iodobenzeneacetic acid
IUPAC Name 2-(4-iodophenyl)acetic acid
InChI Key FJSHTWVDFAUNCO-UHFFFAOYSA-N
Molecular Formula C8H7IO2
334

2-Cyano-6-hydroxybenzothiazole, 97%

CAS: 939-69-5 Molecular Formula: C8H4N2OS Molecular Weight (g/mol): 176.19 MDL Number: MFCD00296905 InChI Key: SQAVNBZDECKYOT-UHFFFAOYSA-N Synonym: 2-cyano-6-hydroxybenzothiazole,6-hydroxybenzo d thiazole-2-carbonitrile,6-hydroxybenzothiazole-2-carbonitrile,2-benzothiazolecarbonitrile, 6-hydroxy,6-hydroxy-2-benzothiazolecarbonitrile,pubchem19680,6-hydroxy-2-cyanobenzothiazole,6-hydroxy-2-cyano-benzothiazole,6-hydroxy-benzothiazole-2-carbonitrile,6-hydroxy-benzo d thiazole-2-carbonitrile PubChem CID: 9881912 IUPAC Name: 6-hydroxy-1,3-benzothiazole-2-carbonitrile SMILES: OC1=CC=C2N=C(SC2=C1)C#N

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PubChem CID 9881912
CAS 939-69-5
Molecular Weight (g/mol) 176.19
MDL Number MFCD00296905
SMILES OC1=CC=C2N=C(SC2=C1)C#N
Synonym 2-cyano-6-hydroxybenzothiazole,6-hydroxybenzo d thiazole-2-carbonitrile,6-hydroxybenzothiazole-2-carbonitrile,2-benzothiazolecarbonitrile, 6-hydroxy,6-hydroxy-2-benzothiazolecarbonitrile,pubchem19680,6-hydroxy-2-cyanobenzothiazole,6-hydroxy-2-cyano-benzothiazole,6-hydroxy-benzothiazole-2-carbonitrile,6-hydroxy-benzo d thiazole-2-carbonitrile
IUPAC Name 6-hydroxy-1,3-benzothiazole-2-carbonitrile
InChI Key SQAVNBZDECKYOT-UHFFFAOYSA-N
Molecular Formula C8H4N2OS
335

2-Fluorophenethyl bromide, 97%

CAS: 91319-54-9 Molecular Formula: C8H8BrF Molecular Weight (g/mol): 203.05 InChI Key: FQGDFWIQBCQXPS-UHFFFAOYSA-N Synonym: 2-fluorophenethyl bromide,1-2-bromoethyl-2-fluorobenzene,1-2-bromo-ethyl-2-fluoro-benzene,benzene, 1-2-bromoethyl-2-fluoro,2-2-bromoethyl-1-fluorobenzene,1-2-bromoethyl-2-fluoro-benzene,2-fluorophenyl-ethylbromide,acmc-209wk4,2-fluorophenyl ethyl bromide,2-2-fluorophenyl-ethylbromide PubChem CID: 2756964 IUPAC Name: 1-(2-bromoethyl)-2-fluorobenzene SMILES: C1=CC=C(C(=C1)CCBr)F

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PubChem CID 2756964
CAS 91319-54-9
Molecular Weight (g/mol) 203.05
SMILES C1=CC=C(C(=C1)CCBr)F
Synonym 2-fluorophenethyl bromide,1-2-bromoethyl-2-fluorobenzene,1-2-bromo-ethyl-2-fluoro-benzene,benzene, 1-2-bromoethyl-2-fluoro,2-2-bromoethyl-1-fluorobenzene,1-2-bromoethyl-2-fluoro-benzene,2-fluorophenyl-ethylbromide,acmc-209wk4,2-fluorophenyl ethyl bromide,2-2-fluorophenyl-ethylbromide
IUPAC Name 1-(2-bromoethyl)-2-fluorobenzene
InChI Key FQGDFWIQBCQXPS-UHFFFAOYSA-N
Molecular Formula C8H8BrF
336

3-Methylstyrene, 95%

CAS: 100-80-1 Molecular Formula: C9H10 Molecular Weight (g/mol): 118.18 InChI Key: JZHGRUMIRATHIU-UHFFFAOYSA-N Synonym: 3-methylstyrene,3-vinyltoluene,1-methyl-3-vinylbenzene,m-vinyltoluene,m-methylstyrene,benzene, 1-ethenyl-3-methyl,styrene, m-methyl,m-methyl styrene,meta-methylstyrene,unii-ffk4i9430g PubChem CID: 7529 IUPAC Name: 1-ethenyl-3-methylbenzene SMILES: CC1=CC=CC(=C1)C=C

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PubChem CID 7529
CAS 100-80-1
Molecular Weight (g/mol) 118.18
SMILES CC1=CC=CC(=C1)C=C
Synonym 3-methylstyrene,3-vinyltoluene,1-methyl-3-vinylbenzene,m-vinyltoluene,m-methylstyrene,benzene, 1-ethenyl-3-methyl,styrene, m-methyl,m-methyl styrene,meta-methylstyrene,unii-ffk4i9430g
IUPAC Name 1-ethenyl-3-methylbenzene
InChI Key JZHGRUMIRATHIU-UHFFFAOYSA-N
Molecular Formula C9H10
337

3-Chloro-4-hydroxyacetanilide, 98%

CAS: 3964-54-3 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.61 MDL Number: MFCD01318123 InChI Key: JULKJDRBSRRBHT-UHFFFAOYSA-N Synonym: n-3-chloro-4-hydroxyphenyl acetamide,3-chloro-4-hydroxyacetanilide,4-acetylamino-2-chlorophenol,2-chloro-4-acetamidophenol,acetamide, n-3-chloro-4-hydroxyphenyl,3'-chloro-4'-hydroxyacetanilide,zlchem 1169,paracetamol impurity c,chloro-4-acetamidophenol,3-chloro-4-hydroxyacet anilide PubChem CID: 77579 IUPAC Name: N-(3-chloro-4-hydroxyphenyl)acetamide SMILES: CC(=O)NC1=CC=C(O)C(Cl)=C1

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PubChem CID 77579
CAS 3964-54-3
Molecular Weight (g/mol) 185.61
MDL Number MFCD01318123
SMILES CC(=O)NC1=CC=C(O)C(Cl)=C1
Synonym n-3-chloro-4-hydroxyphenyl acetamide,3-chloro-4-hydroxyacetanilide,4-acetylamino-2-chlorophenol,2-chloro-4-acetamidophenol,acetamide, n-3-chloro-4-hydroxyphenyl,3'-chloro-4'-hydroxyacetanilide,zlchem 1169,paracetamol impurity c,chloro-4-acetamidophenol,3-chloro-4-hydroxyacet anilide
IUPAC Name N-(3-chloro-4-hydroxyphenyl)acetamide
InChI Key JULKJDRBSRRBHT-UHFFFAOYSA-N
Molecular Formula C8H8ClNO2
338

2-Methyl-4-nitrobenzoic acid, 98%

CAS: 1975-51-5 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 InChI Key: XXXOBNJIIZQSPT-UHFFFAOYSA-N Synonym: 2-methyl-4-nitrobenzoic acid,4-nitro-o-toluic acid,2-methyl-4-nitro-benzoic acid,2-methyl-4-nitrobenzoicacid,4-nitro-2-methylbenzoic acid,benzoic acid, 2-methyl-4-nitro,pubchem8363,acmc-1bsab,2-carboxy-5-nitrotoluene,2-methyl4-nitrobenzoic acid PubChem CID: 74790 SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O

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PubChem CID 74790
CAS 1975-51-5
Molecular Weight (g/mol) 181.15
SMILES CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O
Synonym 2-methyl-4-nitrobenzoic acid,4-nitro-o-toluic acid,2-methyl-4-nitro-benzoic acid,2-methyl-4-nitrobenzoicacid,4-nitro-2-methylbenzoic acid,benzoic acid, 2-methyl-4-nitro,pubchem8363,acmc-1bsab,2-carboxy-5-nitrotoluene,2-methyl4-nitrobenzoic acid
InChI Key XXXOBNJIIZQSPT-UHFFFAOYSA-N
Molecular Formula C8H7NO4
339

1-Bromo-3,4,5-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

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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
340

Bifonazole, 98%, Thermo Scientific™

CAS: 60628-96-8 Molecular Formula: C22H18N2 Molecular Weight (g/mol): 310.39 InChI Key: OCAPBUJLXMYKEJ-UHFFFAOYSA-N Synonym: bifonazole,mycospor,trifonazole,bifonazol,bifonazolum,amycor,azolmen,bifonazol inn-spanish,bifonazolum inn-latin,1-4-biphenylyl phenylmethyl-1h-imidazole PubChem CID: 2378 ChEBI: CHEBI:78692 IUPAC Name: 1-[phenyl-(4-phenylphenyl)methyl]imidazole SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)N4C=CN=C4

EDGE
PubChem CID 2378
CAS 60628-96-8
Molecular Weight (g/mol) 310.39
ChEBI CHEBI:78692
SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)N4C=CN=C4
Synonym bifonazole,mycospor,trifonazole,bifonazol,bifonazolum,amycor,azolmen,bifonazol inn-spanish,bifonazolum inn-latin,1-4-biphenylyl phenylmethyl-1h-imidazole
IUPAC Name 1-[phenyl-(4-phenylphenyl)methyl]imidazole
InChI Key OCAPBUJLXMYKEJ-UHFFFAOYSA-N
Molecular Formula C22H18N2
341

4-(Trifluoromethyl)thiophenol, 97%

CAS: 825-83-2 Molecular Formula: C7H5F3S Molecular Weight (g/mol): 178.18 MDL Number: MFCD00042320 InChI Key: WCMLRSZJUIKVCW-UHFFFAOYSA-N Synonym: 4-trifluoromethyl thiophenol,4-trifluoromethyl benzenethiol,4-trifluoromethyl benzene-1-thiol,4-trifluoromethylthiophenol,4-mercaptobenzotrifluoride,benzenethiol, 4-trifluoromethyl,4-trifluoromethyl t,acmc-20amtl,pubchem6864 PubChem CID: 136653 IUPAC Name: 4-(trifluoromethyl)benzenethiol SMILES: C1=CC(=CC=C1C(F)(F)F)S

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PubChem CID 136653
CAS 825-83-2
Molecular Weight (g/mol) 178.18
MDL Number MFCD00042320
SMILES C1=CC(=CC=C1C(F)(F)F)S
Synonym 4-trifluoromethyl thiophenol,4-trifluoromethyl benzenethiol,4-trifluoromethyl benzene-1-thiol,4-trifluoromethylthiophenol,4-mercaptobenzotrifluoride,benzenethiol, 4-trifluoromethyl,4-trifluoromethyl t,acmc-20amtl,pubchem6864
IUPAC Name 4-(trifluoromethyl)benzenethiol
InChI Key WCMLRSZJUIKVCW-UHFFFAOYSA-N
Molecular Formula C7H5F3S
342

(S)-(-)-2-Methyl-CBS-oxazaborolidine, 1M solution in toluene, Thermo Scientific Chemicals

CAS: 108-88-3,112022-81-8 Molecular Formula: C18H20BNO Molecular Weight (g/mol): 277.17 MDL Number: MFCD00078439 InChI Key: VMKAFJQFKBASMU-KRWDZBQOSA-N Synonym: s-2-methyl-cbs-oxazaborolidine,s-methyl oxazaborolidine,s---2-methyl-cbs-oxazaborolidine,s-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine,corey catalyst,s-methyl-cbs-oxazaborolidine,s-3,3-diphenyl-1-methylpyrrolidino 1,2-c-1,3,2-oxazaborole,s-me-cbs catalyst,s-methyl-cbs,s-me-cbs PubChem CID: 2734713 IUPAC Name: (3aS)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole SMILES: [H][C@@]12CCCN1B(C)OC2(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID 2734713
CAS 108-88-3,112022-81-8
Molecular Weight (g/mol) 277.17
MDL Number MFCD00078439
SMILES [H][C@@]12CCCN1B(C)OC2(C1=CC=CC=C1)C1=CC=CC=C1
Synonym s-2-methyl-cbs-oxazaborolidine,s-methyl oxazaborolidine,s---2-methyl-cbs-oxazaborolidine,s-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine,corey catalyst,s-methyl-cbs-oxazaborolidine,s-3,3-diphenyl-1-methylpyrrolidino 1,2-c-1,3,2-oxazaborole,s-me-cbs catalyst,s-methyl-cbs,s-me-cbs
IUPAC Name (3aS)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole
InChI Key VMKAFJQFKBASMU-KRWDZBQOSA-N
Molecular Formula C18H20BNO
343

2-Fluorophenylboronic acid, 98%

CAS: 1993-03-9 Molecular Formula: C6H6BFO2 Molecular Weight (g/mol): 139.92 MDL Number: MFCD00674013 InChI Key: QCSLIRFWJPOENV-UHFFFAOYSA-N Synonym: 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl,boronic acid, 2-fluorophenyl,2-fluoro-phenyl-boronic acid,o-fluoro-benzeneboronic acid,benzeneboronic acid, o-fluoro PubChem CID: 2734354 IUPAC Name: (2-fluorophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1F

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PubChem CID 2734354
CAS 1993-03-9
Molecular Weight (g/mol) 139.92
MDL Number MFCD00674013
SMILES OB(O)C1=CC=CC=C1F
Synonym 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl,boronic acid, 2-fluorophenyl,2-fluoro-phenyl-boronic acid,o-fluoro-benzeneboronic acid,benzeneboronic acid, o-fluoro
IUPAC Name (2-fluorophenyl)boronic acid
InChI Key QCSLIRFWJPOENV-UHFFFAOYSA-N
Molecular Formula C6H6BFO2
344

Methyl 6-bromo-2-naphthoate, 98%

CAS: 33626-98 -1 Molecular Formula: C12H9BrO2 Molecular Weight (g/mol): 265.1 MDL Number: MFCD00100408 InChI Key: JEUBRLPXJZOGPX-UHFFFAOYSA-N PubChem CID: 854134 IUPAC Name: methyl 6-bromonaphthalene-2-carboxylate SMILES: COC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br

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PubChem CID 854134
CAS 33626-98 -1
Molecular Weight (g/mol) 265.1
MDL Number MFCD00100408
SMILES COC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br
IUPAC Name methyl 6-bromonaphthalene-2-carboxylate
InChI Key JEUBRLPXJZOGPX-UHFFFAOYSA-N
Molecular Formula C12H9BrO2
345

2,4-Dimethylbenzylamine, 98%

CAS: 94-98-4 Molecular Formula: C9H14N Molecular Weight (g/mol): 136.22 MDL Number: MFCD00025575 InChI Key: GBSUVYGVEQDZPG-UHFFFAOYSA-O Synonym: 2,4-dimethylbenzylamine,2,4-dimethylphenyl methanamine,benzenemethanamine, 2,4-dimethyl,benzylamine, 2,4-dimethyl,2,4-dimethylbenzenemethanamine,omega-amino-psi-cumene,1-2,4-dimethylphenyl methanamine,omega-amino-1,2,4-trimethylbenzene,rarechem al bw 0350,timtec-bb sbb005795 PubChem CID: 66761 IUPAC Name: (2,4-dimethylphenyl)methanamine SMILES: CC1=CC=C(C[NH3+])C(C)=C1

EDGE
PubChem CID 66761
CAS 94-98-4
Molecular Weight (g/mol) 136.22
MDL Number MFCD00025575
SMILES CC1=CC=C(C[NH3+])C(C)=C1
Synonym 2,4-dimethylbenzylamine,2,4-dimethylphenyl methanamine,benzenemethanamine, 2,4-dimethyl,benzylamine, 2,4-dimethyl,2,4-dimethylbenzenemethanamine,omega-amino-psi-cumene,1-2,4-dimethylphenyl methanamine,omega-amino-1,2,4-trimethylbenzene,rarechem al bw 0350,timtec-bb sbb005795
IUPAC Name (2,4-dimethylphenyl)methanamine
InChI Key GBSUVYGVEQDZPG-UHFFFAOYSA-O
Molecular Formula C9H14N