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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 (67,623)
Phenols (13,427)
Naphthalenes (5,064)
Fluorenes (1,235)
Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (557)
Anthracenes (412)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (277)
Pyrenes (229)
Dibenzocycloheptenes (62)
Naphthacenes (36)
Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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1,531 – 1,545 of 78,441 results
1,531

4-Methylanisole, 99%

CAS: 104-93-8 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00008413 InChI Key: CHLICZRVGGXEOD-UHFFFAOYSA-N Synonym: 4-methylanisole,p-methylanisole,4-methoxytoluene,p-methoxytoluene,benzene, 1-methoxy-4-methyl,p-cresyl methyl ether,p-cresol methyl ether,anisole, p-methyl,methyl p-tolyl ether,p-tolyl methyl ether PubChem CID: 7731 IUPAC Name: 1-methoxy-4-methylbenzene SMILES: CC1=CC=C(C=C1)OC

PubChem CID 7731
CAS 104-93-8
Molecular Weight (g/mol) 122.17
MDL Number MFCD00008413
SMILES CC1=CC=C(C=C1)OC
Synonym 4-methylanisole,p-methylanisole,4-methoxytoluene,p-methoxytoluene,benzene, 1-methoxy-4-methyl,p-cresyl methyl ether,p-cresol methyl ether,anisole, p-methyl,methyl p-tolyl ether,p-tolyl methyl ether
IUPAC Name 1-methoxy-4-methylbenzene
InChI Key CHLICZRVGGXEOD-UHFFFAOYSA-N
Molecular Formula C8H10O
1,532

Pentafluorophenyl nicotinate, 97%, Thermo Scientific™

CAS: 848347-44-4 Molecular Formula: C12H4F5NO2 Molecular Weight (g/mol): 289.161 MDL Number: MFCD09064938 InChI Key: AXHLJDBUUFUDCF-UHFFFAOYSA-N Synonym: pentafluorophenyl nicotinate,pentafluorophenyl pyridine-3-carboxylate,2,3,4,5,6-pentakis fluoranyl phenyl pyridine-3-carboxylate,3-pyridinecarboxylic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 23237920 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) pyridine-3-carboxylate SMILES: C1=CC(=CN=C1)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F

PubChem CID 23237920
CAS 848347-44-4
Molecular Weight (g/mol) 289.161
MDL Number MFCD09064938
SMILES C1=CC(=CN=C1)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
Synonym pentafluorophenyl nicotinate,pentafluorophenyl pyridine-3-carboxylate,2,3,4,5,6-pentakis fluoranyl phenyl pyridine-3-carboxylate,3-pyridinecarboxylic acid 2,3,4,5,6-pentafluorophenyl ester
IUPAC Name (2,3,4,5,6-pentafluorophenyl) pyridine-3-carboxylate
InChI Key AXHLJDBUUFUDCF-UHFFFAOYSA-N
Molecular Formula C12H4F5NO2
1,533

4-(Pyrrolidin-1-ylmethyl)benzaldehyde, ≥97%, Thermo Scientific™

CAS: 650628-72-1 Molecular Formula: C12H15NO Molecular Weight (g/mol): 189.258 MDL Number: MFCD07782421 InChI Key: MTBYCACQSYAYCC-UHFFFAOYSA-N PubChem CID: 23090828 IUPAC Name: 4-(pyrrolidin-1-ylmethyl)benzaldehyde SMILES: C1CCN(C1)CC2=CC=C(C=C2)C=O

PubChem CID 23090828
CAS 650628-72-1
Molecular Weight (g/mol) 189.258
MDL Number MFCD07782421
SMILES C1CCN(C1)CC2=CC=C(C=C2)C=O
IUPAC Name 4-(pyrrolidin-1-ylmethyl)benzaldehyde
InChI Key MTBYCACQSYAYCC-UHFFFAOYSA-N
Molecular Formula C12H15NO
1,534

9,10-Dichloroanthracene, 97%

CAS: 605-48-1 Molecular Formula: C14H8Cl2 Molecular Weight (g/mol): 247.118 MDL Number: MFCD00001246 InChI Key: FKDIWXZNKAZCBY-UHFFFAOYSA-N PubChem CID: 11800 IUPAC Name: 9,10-dichloroanthracene SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Cl)Cl

PubChem CID 11800
CAS 605-48-1
Molecular Weight (g/mol) 247.118
MDL Number MFCD00001246
SMILES C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Cl)Cl
IUPAC Name 9,10-dichloroanthracene
InChI Key FKDIWXZNKAZCBY-UHFFFAOYSA-N
Molecular Formula C14H8Cl2
1,535

2-(Trifluoromethyl)phenylhydrazine hydrochloride, 98%

CAS: 3107-34-4 Molecular Formula: C7H8ClF3N2 Molecular Weight (g/mol): 212.6 MDL Number: MFCD00102619 InChI Key: ZUSWDTWYONAOPH-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylhydrazine hydrochloride,2-trifluoromethyl phenylhydrazine hcl,2-hydrazinobenzotrifluoride hcl,2-hydrazinobenzotrifluoride hydrochloride,2-trifluoromethyl phenyl hydrazine hydrochloride,2-trifluoromethyl phenylhydrazine monohydrochloride,1-2-trifluoromethyl phenyl hydrazine hydrochloride,n'-2-trifluoromethyl-phenyl-hydrazinium, chloride,2-trifluoromethylphenylhydrazine hydrochloride PubChem CID: 12891828 IUPAC Name: [2-(trifluoromethyl)phenyl]hydrazine;hydrochloride SMILES: C1=CC=C(C(=C1)C(F)(F)F)NN.Cl

PubChem CID 12891828
CAS 3107-34-4
Molecular Weight (g/mol) 212.6
MDL Number MFCD00102619
SMILES C1=CC=C(C(=C1)C(F)(F)F)NN.Cl
Synonym 2-trifluoromethyl phenylhydrazine hydrochloride,2-trifluoromethyl phenylhydrazine hcl,2-hydrazinobenzotrifluoride hcl,2-hydrazinobenzotrifluoride hydrochloride,2-trifluoromethyl phenyl hydrazine hydrochloride,2-trifluoromethyl phenylhydrazine monohydrochloride,1-2-trifluoromethyl phenyl hydrazine hydrochloride,n'-2-trifluoromethyl-phenyl-hydrazinium, chloride,2-trifluoromethylphenylhydrazine hydrochloride
IUPAC Name [2-(trifluoromethyl)phenyl]hydrazine;hydrochloride
InChI Key ZUSWDTWYONAOPH-UHFFFAOYSA-N
Molecular Formula C7H8ClF3N2
1,536

4-Bromo-3-fluorobenzyl alcohol, 96%

CAS: 222978-01-0 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.026 MDL Number: MFCD08236860 InChI Key: VQDUFYPJCUBGQW-UHFFFAOYSA-N Synonym: 4-bromo-3-fluorophenyl methanol,4-bromo-3-fluorobenzyl alcohol,4-bromo-3-fluorobenzenemethanol,benzenemethanol, 4-bromo-3-fluoro,4-bromo-3-fluoro-phenyl-methanol,benzenemethanol,4-bromo-3-fluoro,acmc-1cr86,ksc549c4b,3-fluoro-4-bromo benzylalcohol,3-fluoro-4-bromobenzyl alcohol PubChem CID: 20682297 IUPAC Name: (4-bromo-3-fluorophenyl)methanol SMILES: C1=CC(=C(C=C1CO)F)Br

PubChem CID 20682297
CAS 222978-01-0
Molecular Weight (g/mol) 205.026
MDL Number MFCD08236860
SMILES C1=CC(=C(C=C1CO)F)Br
Synonym 4-bromo-3-fluorophenyl methanol,4-bromo-3-fluorobenzyl alcohol,4-bromo-3-fluorobenzenemethanol,benzenemethanol, 4-bromo-3-fluoro,4-bromo-3-fluoro-phenyl-methanol,benzenemethanol,4-bromo-3-fluoro,acmc-1cr86,ksc549c4b,3-fluoro-4-bromo benzylalcohol,3-fluoro-4-bromobenzyl alcohol
IUPAC Name (4-bromo-3-fluorophenyl)methanol
InChI Key VQDUFYPJCUBGQW-UHFFFAOYSA-N
Molecular Formula C7H6BrFO
1,537

4-Bromobenzaldehyde diethyl acetal, 98%, Thermo Scientific Chemicals

CAS: 34421-94-8 Molecular Formula: C11H15BrO2 Molecular Weight (g/mol): 259.14 MDL Number: MFCD01863514 InChI Key: BFSNEBVTOODGHZ-UHFFFAOYSA-N Synonym: 4-bromobenzaldehyde diethyl acetal,1-bromo-4-diethoxymethyl benzene,4-bromobenzaldehydediethylacetal,benzene, 1-bromo-4-diethoxymethyl,4-bromophenyl diethoxymethane,4-bromobenzaldehyde diethylacetal,4-bromo-alpha,alpha-diethoxytoluene,pubchem5372,acmc-1aigt,4-bromobenzaldehydediethyl acetal PubChem CID: 688340 IUPAC Name: 1-bromo-4-(diethoxymethyl)benzene SMILES: CCOC(OCC)C1=CC=C(Br)C=C1

PubChem CID 688340
CAS 34421-94-8
Molecular Weight (g/mol) 259.14
MDL Number MFCD01863514
SMILES CCOC(OCC)C1=CC=C(Br)C=C1
Synonym 4-bromobenzaldehyde diethyl acetal,1-bromo-4-diethoxymethyl benzene,4-bromobenzaldehydediethylacetal,benzene, 1-bromo-4-diethoxymethyl,4-bromophenyl diethoxymethane,4-bromobenzaldehyde diethylacetal,4-bromo-alpha,alpha-diethoxytoluene,pubchem5372,acmc-1aigt,4-bromobenzaldehydediethyl acetal
IUPAC Name 1-bromo-4-(diethoxymethyl)benzene
InChI Key BFSNEBVTOODGHZ-UHFFFAOYSA-N
Molecular Formula C11H15BrO2
1,538

[4-(1H-1,2,4-Triazol-1-ylmethyl)phenyl]methanol, ≥97%, Thermo Scientific™

CAS: 160388-56-7 Molecular Formula: C10H11N3O Molecular Weight (g/mol): 189.218 MDL Number: MFCD07772869 InChI Key: XEOWXPICRQBFIT-UHFFFAOYSA-N Synonym: 4-1h-1,2,4-triazol-1-ylmethyl phenyl methanol,4-1,2,4-triazol-1-ylmethyl phenyl methanol,4-1h-1,2,4-triazol-1-ylmethyl benzyl alcohol,4-1,2,4-triazolylmethyl phenyl methan-1-ol,4-1h-1,2,4-triazol-1-yl methyl phenyl methanol PubChem CID: 7162035 IUPAC Name: [4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CN2C=NC=N2)CO

PubChem CID 7162035
CAS 160388-56-7
Molecular Weight (g/mol) 189.218
MDL Number MFCD07772869
SMILES C1=CC(=CC=C1CN2C=NC=N2)CO
Synonym 4-1h-1,2,4-triazol-1-ylmethyl phenyl methanol,4-1,2,4-triazol-1-ylmethyl phenyl methanol,4-1h-1,2,4-triazol-1-ylmethyl benzyl alcohol,4-1,2,4-triazolylmethyl phenyl methan-1-ol,4-1h-1,2,4-triazol-1-yl methyl phenyl methanol
IUPAC Name [4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol
InChI Key XEOWXPICRQBFIT-UHFFFAOYSA-N
Molecular Formula C10H11N3O
1,539

2-Phenoxybenzoyl chloride, TECH, Thermo Scientific™

CAS: 40501-36-8 Molecular Formula: C13H9ClO2 Molecular Weight (g/mol): 232.663 MDL Number: MFCD03424711 InChI Key: BMGKQFRMINVVPP-UHFFFAOYSA-N Synonym: benzoylchloride, 2-phenoxy,phenoxybenzoyl chloride,2-phenoxy benzoyl chloride,2-phenoxy-benzoyl chloride,benzoyl chloride, 2-phenoxy,2-phenoxybenzoic acid chloride,2-chlorocarbonyl diphenyl ether PubChem CID: 11075303 IUPAC Name: 2-phenoxybenzoyl chloride SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)Cl

PubChem CID 11075303
CAS 40501-36-8
Molecular Weight (g/mol) 232.663
MDL Number MFCD03424711
SMILES C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)Cl
Synonym benzoylchloride, 2-phenoxy,phenoxybenzoyl chloride,2-phenoxy benzoyl chloride,2-phenoxy-benzoyl chloride,benzoyl chloride, 2-phenoxy,2-phenoxybenzoic acid chloride,2-chlorocarbonyl diphenyl ether
IUPAC Name 2-phenoxybenzoyl chloride
InChI Key BMGKQFRMINVVPP-UHFFFAOYSA-N
Molecular Formula C13H9ClO2
1,540

4-n-Nonylphenol, 98+%

CAS: 104-40-5 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 MDL Number: MFCD00002396 InChI Key: IGFHQQFPSIBGKE-UHFFFAOYSA-N Synonym: 4-n-nonylphenol,p-nonylphenol,phenol, 4-nonyl,para-nonylphenol,p-n-nonylphenol,phenol, nonyl,phenol, p-nonyl,nonylphenol mixed,phenol, nonyl derivs.,4-nonyl phenol PubChem CID: 1752 ChEBI: CHEBI:34440 IUPAC Name: 4-nonylphenol SMILES: CCCCCCCCCC1=CC=C(C=C1)O

PubChem CID 1752
CAS 104-40-5
Molecular Weight (g/mol) 220.356
ChEBI CHEBI:34440
MDL Number MFCD00002396
SMILES CCCCCCCCCC1=CC=C(C=C1)O
Synonym 4-n-nonylphenol,p-nonylphenol,phenol, 4-nonyl,para-nonylphenol,p-n-nonylphenol,phenol, nonyl,phenol, p-nonyl,nonylphenol mixed,phenol, nonyl derivs.,4-nonyl phenol
IUPAC Name 4-nonylphenol
InChI Key IGFHQQFPSIBGKE-UHFFFAOYSA-N
Molecular Formula C15H24O
1,541

2-Phenyl-2-propanol, 98+%

CAS: 617-94-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00004456 InChI Key: BDCFWIDZNLCTMF-UHFFFAOYSA-N Synonym: 2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol PubChem CID: 12053 IUPAC Name: 2-phenylpropan-2-ol SMILES: CC(C)(O)C1=CC=CC=C1

PubChem CID 12053
CAS 617-94-7
Molecular Weight (g/mol) 136.19
MDL Number MFCD00004456
SMILES CC(C)(O)C1=CC=CC=C1
Synonym 2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol
IUPAC Name 2-phenylpropan-2-ol
InChI Key BDCFWIDZNLCTMF-UHFFFAOYSA-N
Molecular Formula C9H12O
1,542

4-Iodotoluene, 98%

CAS: 624-31-7 Molecular Formula: C7H7I Molecular Weight (g/mol): 218.037 MDL Number: MFCD00001059 InChI Key: UDHAWRUAECEBHC-UHFFFAOYSA-N Synonym: 4-iodotoluene,p-iodotoluene,benzene, 1-iodo-4-methyl,toluene, p-iodo,p-tolyl iodide,p-methyliodobenzene,1-methyl-4-iodobenzene,1-iodo-4-methyl-benzene,unii-g75kcn1am8,iodotoluene 4- PubChem CID: 12207 IUPAC Name: 1-iodo-4-methylbenzene SMILES: CC1=CC=C(C=C1)I

PubChem CID 12207
CAS 624-31-7
Molecular Weight (g/mol) 218.037
MDL Number MFCD00001059
SMILES CC1=CC=C(C=C1)I
Synonym 4-iodotoluene,p-iodotoluene,benzene, 1-iodo-4-methyl,toluene, p-iodo,p-tolyl iodide,p-methyliodobenzene,1-methyl-4-iodobenzene,1-iodo-4-methyl-benzene,unii-g75kcn1am8,iodotoluene 4-
IUPAC Name 1-iodo-4-methylbenzene
InChI Key UDHAWRUAECEBHC-UHFFFAOYSA-N
Molecular Formula C7H7I
1,543

Methyl 3,4-dichlorobenzoate, 97%, Thermo Scientific Chemicals

CAS: 2905-68-2 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.03 MDL Number: MFCD00018165 InChI Key: WICGATIORFSOJL-UHFFFAOYSA-N PubChem CID: 76193 IUPAC Name: methyl 3,4-dichlorobenzoate SMILES: COC(=O)C1=CC=C(Cl)C(Cl)=C1

PubChem CID 76193
CAS 2905-68-2
Molecular Weight (g/mol) 205.03
MDL Number MFCD00018165
SMILES COC(=O)C1=CC=C(Cl)C(Cl)=C1
IUPAC Name methyl 3,4-dichlorobenzoate
InChI Key WICGATIORFSOJL-UHFFFAOYSA-N
Molecular Formula C8H6Cl2O2
1,544

2-Chloro-6-methylbenzaldehyde, 98%

CAS: 1194-64-5 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.593 MDL Number: MFCD01934409 InChI Key: CCYFXIJPJFSTSU-UHFFFAOYSA-N PubChem CID: 12467050 IUPAC Name: 2-chloro-6-methylbenzaldehyde SMILES: CC1=C(C(=CC=C1)Cl)C=O

PubChem CID 12467050
CAS 1194-64-5
Molecular Weight (g/mol) 154.593
MDL Number MFCD01934409
SMILES CC1=C(C(=CC=C1)Cl)C=O
IUPAC Name 2-chloro-6-methylbenzaldehyde
InChI Key CCYFXIJPJFSTSU-UHFFFAOYSA-N
Molecular Formula C8H7ClO
1,545

2,6-Difluoro-4-hydroxybenzoic acid, 95%

CAS: 214917-68-7 Molecular Formula: C7H4F2O3 Molecular Weight (g/mol): 174.10 MDL Number: MFCD03094500 InChI Key: NFIQGYBXSJQLSR-UHFFFAOYSA-N Synonym: 2,6-difluoro-4-hydroxy-benzoic acid,benzoic acid, 2,6-difluoro-4-hydroxy,pubchem4938,acmc-1cles,ksc495o6f,4-carboxy-3,5-difluorophenol PubChem CID: 2778776 IUPAC Name: 2,6-difluoro-4-hydroxybenzoic acid SMILES: OC(=O)C1=C(F)C=C(O)C=C1F

PubChem CID 2778776
CAS 214917-68-7
Molecular Weight (g/mol) 174.10
MDL Number MFCD03094500
SMILES OC(=O)C1=C(F)C=C(O)C=C1F
Synonym 2,6-difluoro-4-hydroxy-benzoic acid,benzoic acid, 2,6-difluoro-4-hydroxy,pubchem4938,acmc-1cles,ksc495o6f,4-carboxy-3,5-difluorophenol
IUPAC Name 2,6-difluoro-4-hydroxybenzoic acid
InChI Key NFIQGYBXSJQLSR-UHFFFAOYSA-N
Molecular Formula C7H4F2O3