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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 (100,075)
Phenols (19,612)
Naphthalenes (5,823)
Phenol esters (2,848)
Unsubstituted Phenols (1,313)
Fluorenes (1,263)
Thiophenols (658)
Anthracenes (499)
Indanes (411)
Phenanthrenes and derivatives (357)
Tetralins (336)
Triphenyl compounds (276)
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Dibenzocycloheptenes (61)
Naphthacenes (37)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (16)
Pentacenequinones (16)
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1-hydroxylamino 2-unsubstituted benzenoids (5)

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10,921 – 10,935 of 120,644 results
10,921

4,4'-Methylenebis(2,6-dimethylphenol) 98.0+%, TCI America™

CAS: 5384-21-4 Molecular Formula: C17H20O2 Molecular Weight (g/mol): 256.345 MDL Number: MFCD00055640 InChI Key: AZZWZMUXHALBCQ-UHFFFAOYSA-N PubChem CID: 79345 IUPAC Name: 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol SMILES: CC1=CC(=CC(=C1O)C)CC2=CC(=C(C(=C2)C)O)C

PubChem CID 79345
CAS 5384-21-4
Molecular Weight (g/mol) 256.345
MDL Number MFCD00055640
SMILES CC1=CC(=CC(=C1O)C)CC2=CC(=C(C(=C2)C)O)C
IUPAC Name 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol
InChI Key AZZWZMUXHALBCQ-UHFFFAOYSA-N
Molecular Formula C17H20O2
10,922

4-Methoxy-2-methylaniline 99.0+%, TCI America™

CAS: 102-50-1 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00007735 InChI Key: CDGNLUSBENXDGG-UHFFFAOYSA-N Synonym: m-cresidine,2-methyl-4-methoxyaniline,2-methyl-p-anisidine,4-methoxy-o-toluidine,benzenamine, 4-methoxy-2-methyl,meta-cresidine,p-anisidine, 2-methyl,6-amino-3-methoxytoluene,2-methyl-4-methoxybenzenamine,4-methoxy-2-methylbenzenamine PubChem CID: 7610 ChEBI: CHEBI:82430 IUPAC Name: 4-methoxy-2-methylaniline SMILES: CC1=C(C=CC(=C1)OC)N

PubChem CID 7610
CAS 102-50-1
Molecular Weight (g/mol) 137.182
ChEBI CHEBI:82430
MDL Number MFCD00007735
SMILES CC1=C(C=CC(=C1)OC)N
Synonym m-cresidine,2-methyl-4-methoxyaniline,2-methyl-p-anisidine,4-methoxy-o-toluidine,benzenamine, 4-methoxy-2-methyl,meta-cresidine,p-anisidine, 2-methyl,6-amino-3-methoxytoluene,2-methyl-4-methoxybenzenamine,4-methoxy-2-methylbenzenamine
IUPAC Name 4-methoxy-2-methylaniline
InChI Key CDGNLUSBENXDGG-UHFFFAOYSA-N
Molecular Formula C8H11NO
10,923

1,3-Di(p-tolyl)thiourea 98.0+%, TCI America™

CAS: 621-01-2 Molecular Formula: C15H16N2S Molecular Weight (g/mol): 256.367 MDL Number: MFCD00008541 InChI Key: ULNVBRUIKLYGDF-UHFFFAOYSA-N PubChem CID: 688021 IUPAC Name: 1,3-bis(4-methylphenyl)thiourea SMILES: CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C

PubChem CID 688021
CAS 621-01-2
Molecular Weight (g/mol) 256.367
MDL Number MFCD00008541
SMILES CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C
IUPAC Name 1,3-bis(4-methylphenyl)thiourea
InChI Key ULNVBRUIKLYGDF-UHFFFAOYSA-N
Molecular Formula C15H16N2S
10,924

3,4-Difluorobenzophenone 98.0+%, TCI America™

CAS: 85118-07-6 Molecular Formula: C13H8F2O Molecular Weight (g/mol): 218.203 MDL Number: MFCD00009892 InChI Key: ZJTYHSBOZAQQGF-UHFFFAOYSA-N Synonym: 3,4-difluorobenzophenone,3,4-difluorophenyl phenyl methanone,methanone, 3,4-difluorophenyl phenyl,3,4-difluoro-phenyl-phenyl-methanone,3,4-difluorophenyl phenyl ketone,fr bf dvr,pubchem4220,acmc-209q4q,timtec-bb sbb016583 PubChem CID: 569908 IUPAC Name: (3,4-difluorophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)F)F

PubChem CID 569908
CAS 85118-07-6
Molecular Weight (g/mol) 218.203
MDL Number MFCD00009892
SMILES C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)F)F
Synonym 3,4-difluorobenzophenone,3,4-difluorophenyl phenyl methanone,methanone, 3,4-difluorophenyl phenyl,3,4-difluoro-phenyl-phenyl-methanone,3,4-difluorophenyl phenyl ketone,fr bf dvr,pubchem4220,acmc-209q4q,timtec-bb sbb016583
IUPAC Name (3,4-difluorophenyl)-phenylmethanone
InChI Key ZJTYHSBOZAQQGF-UHFFFAOYSA-N
Molecular Formula C13H8F2O
10,925

[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]triphenylphosphine Nickel(II) Dichloride 98.0+%, TCI America™

CAS: 903592-98-3 Molecular Formula: C45H51Cl2N2NiP Molecular Weight (g/mol): 780.484 InChI Key: IGLKEXXECLLIAD-UHFFFAOYSA-L PubChem CID: 56923621 IUPAC Name: [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-triphenyl-$l^{5}-phosphane;dichloronickel SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN(C2=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=C(C=CC=C6C(C)C)C(C)C.Cl[Ni]Cl

PubChem CID 56923621
CAS 903592-98-3
Molecular Weight (g/mol) 780.484
SMILES CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN(C2=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=C(C=CC=C6C(C)C)C(C)C.Cl[Ni]Cl
IUPAC Name [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-triphenyl-$l^{5}-phosphane;dichloronickel
InChI Key IGLKEXXECLLIAD-UHFFFAOYSA-L
Molecular Formula C45H51Cl2N2NiP
10,926

2,6-Dichlorobenzyl Alcohol 98.0+%, TCI America™

CAS: 15258-73-8 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.024 MDL Number: MFCD00004609 InChI Key: WKKHCCZLKYKUDN-UHFFFAOYSA-N Synonym: 2,6-dichlorobenzyl alcohol,2,6-dichlorophenyl methanol,benzenemethanol, 2,6-dichloro,2,6-dichlorobenzenemethanol,benzyl alcohol, 2,6-dichloro,2,6-dcal,2,6-dichlorobenzylalcohol,benzenemethanol, 2,6-dichloro-9ci,2,6-dichloro-benzenemethanol,2,6-dichloro-phenyl-methanol PubChem CID: 27156 IUPAC Name: (2,6-dichlorophenyl)methanol SMILES: C1=CC(=C(C(=C1)Cl)CO)Cl

PubChem CID 27156
CAS 15258-73-8
Molecular Weight (g/mol) 177.024
MDL Number MFCD00004609
SMILES C1=CC(=C(C(=C1)Cl)CO)Cl
Synonym 2,6-dichlorobenzyl alcohol,2,6-dichlorophenyl methanol,benzenemethanol, 2,6-dichloro,2,6-dichlorobenzenemethanol,benzyl alcohol, 2,6-dichloro,2,6-dcal,2,6-dichlorobenzylalcohol,benzenemethanol, 2,6-dichloro-9ci,2,6-dichloro-benzenemethanol,2,6-dichloro-phenyl-methanol
IUPAC Name (2,6-dichlorophenyl)methanol
InChI Key WKKHCCZLKYKUDN-UHFFFAOYSA-N
Molecular Formula C7H6Cl2O
10,927

(+)-2,2'-Methylenebis[(3aR,8aS)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole] 98.0+%, TCI America™

CAS: 180186-94-1 Molecular Formula: C21H18N2O2 Molecular Weight (g/mol): 330.39 MDL Number: MFCD06797115 InChI Key: BDHSVQLSNIGJNC-UHFFFAOYNA-N PubChem CID: 1268099 IUPAC Name: 2-({3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl}methyl)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazole SMILES: C(C1=NC2C(CC3=CC=CC=C23)O1)C1=NC2C(CC3=CC=CC=C23)O1

PubChem CID 1268099
CAS 180186-94-1
Molecular Weight (g/mol) 330.39
MDL Number MFCD06797115
SMILES C(C1=NC2C(CC3=CC=CC=C23)O1)C1=NC2C(CC3=CC=CC=C23)O1
IUPAC Name 2-({3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl}methyl)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazole
InChI Key BDHSVQLSNIGJNC-UHFFFAOYNA-N
Molecular Formula C21H18N2O2
10,928

3-Fluorocatechol 98.0+%, TCI America™

CAS: 363-52-0 Molecular Formula: C6H5FO2 Molecular Weight (g/mol): 128.10 MDL Number: MFCD00042582 InChI Key: DXOSJQLIRGXWCF-UHFFFAOYSA-N Synonym: 3-fluorocatechol,pyrocatechol, 3-fluoro,1,2-benzenediol, 3-fluoro,1,2-dihydroxy-3-fluorobenzene,3-fluoro-1,2-dihydroxybenzene,3-fluoro-1,2-benzenediol,1-fluoro-2,3-dihydroxybenzene,3fa,pubchem4142 PubChem CID: 67764 ChEBI: CHEBI:39876 IUPAC Name: 3-fluorobenzene-1,2-diol SMILES: OC1=CC=CC(F)=C1O

PubChem CID 67764
CAS 363-52-0
Molecular Weight (g/mol) 128.10
ChEBI CHEBI:39876
MDL Number MFCD00042582
SMILES OC1=CC=CC(F)=C1O
Synonym 3-fluorocatechol,pyrocatechol, 3-fluoro,1,2-benzenediol, 3-fluoro,1,2-dihydroxy-3-fluorobenzene,3-fluoro-1,2-dihydroxybenzene,3-fluoro-1,2-benzenediol,1-fluoro-2,3-dihydroxybenzene,3fa,pubchem4142
IUPAC Name 3-fluorobenzene-1,2-diol
InChI Key DXOSJQLIRGXWCF-UHFFFAOYSA-N
Molecular Formula C6H5FO2
10,929

Isorhapontigenin 96.0+%, TCI America™

CAS: 32507-66-7 Molecular Formula: C15H14O4 Molecular Weight (g/mol): 258.273 MDL Number: MFCD12407151 InChI Key: ANNNBEZJTNCXHY-NSCUHMNNSA-N Synonym: 3,4′C,5-Trihydroxy-3′C-methoxy-trans-stilbene PubChem CID: 5318650 IUPAC Name: 5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol SMILES: COC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)O)O)O

PubChem CID 5318650
CAS 32507-66-7
Molecular Weight (g/mol) 258.273
MDL Number MFCD12407151
SMILES COC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)O)O)O
Synonym 3,4′C,5-Trihydroxy-3′C-methoxy-trans-stilbene
IUPAC Name 5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol
InChI Key ANNNBEZJTNCXHY-NSCUHMNNSA-N
Molecular Formula C15H14O4
10,930

2-(Trifluoromethoxy)benzyl Bromide 98.0+%, TCI America™

CAS: 198649-68-2 Molecular Formula: C8H6BrF3O Molecular Weight (g/mol): 255.034 MDL Number: MFCD00236321 InChI Key: TUNSVUOTVLWNQT-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy benzyl bromide,1-bromomethyl-2-trifluoromethoxy benzene,2-trifluoromethoxy benzylbromide,alpha-bromo-2-trifluoromethoxy toluene,2-trifluoromethoxybenzyl bromide,2-trifluoromethoxy-benzyl bromide,benzene, 1-bromomethyl-2-trifluoromethoxy,2-bromomethyl phenoxy trifluoromethane,acmc-1c20t PubChem CID: 2777254 IUPAC Name: 1-(bromomethyl)-2-(trifluoromethoxy)benzene SMILES: C1=CC=C(C(=C1)CBr)OC(F)(F)F

PubChem CID 2777254
CAS 198649-68-2
Molecular Weight (g/mol) 255.034
MDL Number MFCD00236321
SMILES C1=CC=C(C(=C1)CBr)OC(F)(F)F
Synonym 2-trifluoromethoxy benzyl bromide,1-bromomethyl-2-trifluoromethoxy benzene,2-trifluoromethoxy benzylbromide,alpha-bromo-2-trifluoromethoxy toluene,2-trifluoromethoxybenzyl bromide,2-trifluoromethoxy-benzyl bromide,benzene, 1-bromomethyl-2-trifluoromethoxy,2-bromomethyl phenoxy trifluoromethane,acmc-1c20t
IUPAC Name 1-(bromomethyl)-2-(trifluoromethoxy)benzene
InChI Key TUNSVUOTVLWNQT-UHFFFAOYSA-N
Molecular Formula C8H6BrF3O
10,931

2-Acetylfluorene 98.0+%, TCI America™

CAS: 781-73-7 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD00001124 InChI Key: IBASEVZORZFIIH-UHFFFAOYSA-N Synonym: 2-acetylfluorene,1-9h-fluoren-2-yl ethanone,ethanone, 1-9h-fluoren-2-yl,2-fluorenyl methyl ketone,2-acetofluorene,ketone, fluoren-2-yl methyl,fluoren-2-yl methyl ketone,1-9h-fluoren-2-yl ethan-1-one,2-acetyl-9h-fluorene PubChem CID: 69908 IUPAC Name: 1-(9H-fluoren-2-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2

PubChem CID 69908
CAS 781-73-7
Molecular Weight (g/mol) 208.26
MDL Number MFCD00001124
SMILES CC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2
Synonym 2-acetylfluorene,1-9h-fluoren-2-yl ethanone,ethanone, 1-9h-fluoren-2-yl,2-fluorenyl methyl ketone,2-acetofluorene,ketone, fluoren-2-yl methyl,fluoren-2-yl methyl ketone,1-9h-fluoren-2-yl ethan-1-one,2-acetyl-9h-fluorene
IUPAC Name 1-(9H-fluoren-2-yl)ethanone
InChI Key IBASEVZORZFIIH-UHFFFAOYSA-N
Molecular Formula C15H12O
10,932

2,3,4-Trifluorobenzonitrile 98.0+%, TCI America™

CAS: 143879-80-5 Molecular Formula: C7H2F3N Molecular Weight (g/mol): 157.10 MDL Number: MFCD00013288 InChI Key: KTPHYLJFAZNALV-UHFFFAOYSA-N Synonym: 2,3,4-difluorobenzonitrile,benzonitrile, trifluoro,2,3,4-trifluorobenzenecarbonitrile,trifluorobenzonitrile,pubchem1572,acmc-209cri,ksc494g9l,2,3,4-trifluoro benzonitrile,2,3,4-trifluoro-benzonitrile,benzonitrile, 2,3,4-trifluoro PubChem CID: 518936 IUPAC Name: 2,3,4-trifluorobenzonitrile SMILES: FC1=CC=C(C#N)C(F)=C1F

PubChem CID 518936
CAS 143879-80-5
Molecular Weight (g/mol) 157.10
MDL Number MFCD00013288
SMILES FC1=CC=C(C#N)C(F)=C1F
Synonym 2,3,4-difluorobenzonitrile,benzonitrile, trifluoro,2,3,4-trifluorobenzenecarbonitrile,trifluorobenzonitrile,pubchem1572,acmc-209cri,ksc494g9l,2,3,4-trifluoro benzonitrile,2,3,4-trifluoro-benzonitrile,benzonitrile, 2,3,4-trifluoro
IUPAC Name 2,3,4-trifluorobenzonitrile
InChI Key KTPHYLJFAZNALV-UHFFFAOYSA-N
Molecular Formula C7H2F3N
10,933

3,4-Dimethylhippuric Acid 98.0+%, TCI America™

CAS: 23082-12-4 Molecular Formula: C11H12NO3 Molecular Weight (g/mol): 206.22 MDL Number: MFCD00191414 InChI Key: ZDHXVMSVUHHHAE-UHFFFAOYSA-M Synonym: N-(3,4-Dimethylbenzoyl)glycine PubChem CID: 152464 IUPAC Name: 2-[(3,4-dimethylphenyl)formamido]acetate SMILES: CC1=CC=C(C=C1C)C(=O)NCC([O-])=O

PubChem CID 152464
CAS 23082-12-4
Molecular Weight (g/mol) 206.22
MDL Number MFCD00191414
SMILES CC1=CC=C(C=C1C)C(=O)NCC([O-])=O
Synonym N-(3,4-Dimethylbenzoyl)glycine
IUPAC Name 2-[(3,4-dimethylphenyl)formamido]acetate
InChI Key ZDHXVMSVUHHHAE-UHFFFAOYSA-M
Molecular Formula C11H12NO3
10,934

5-Aminoindan 98.0+%, TCI America™

CAS: 24425-40-9 Molecular Formula: C9H11N Molecular Weight (g/mol): 133.194 MDL Number: MFCD00003803 InChI Key: LEWZOBYWGWKNCK-UHFFFAOYSA-N Synonym: 5-aminoindan,indan-5-amine,indan-5-ylamine,5-indanamine,5-aminohydrindene,5-aminoindane,indane-5-ylamine,1h-inden-5-amine, 2,3-dihydro,2,3-dihydro-1h-inden-5-ylamine,6-aminoindane PubChem CID: 90496 IUPAC Name: 2,3-dihydro-1H-inden-5-amine SMILES: C1CC2=C(C1)C=C(C=C2)N

PubChem CID 90496
CAS 24425-40-9
Molecular Weight (g/mol) 133.194
MDL Number MFCD00003803
SMILES C1CC2=C(C1)C=C(C=C2)N
Synonym 5-aminoindan,indan-5-amine,indan-5-ylamine,5-indanamine,5-aminohydrindene,5-aminoindane,indane-5-ylamine,1h-inden-5-amine, 2,3-dihydro,2,3-dihydro-1h-inden-5-ylamine,6-aminoindane
IUPAC Name 2,3-dihydro-1H-inden-5-amine
InChI Key LEWZOBYWGWKNCK-UHFFFAOYSA-N
Molecular Formula C9H11N
10,935

Diethyl 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate 98.0+%, TCI America™

CAS: 976-56-7 Molecular Formula: C19H33O4P Molecular Weight (g/mol): 356.44 MDL Number: MFCD00227871 InChI Key: GJDRKHHGPHLVNI-UHFFFAOYSA-N Synonym: 3,5-Di-tert-butyl-4-hydroxybenzylphosphonic Acid Diethyl Ester PubChem CID: 70421 IUPAC Name: diethyl [(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]phosphonate SMILES: CCOP(=O)(CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)OCC

PubChem CID 70421
CAS 976-56-7
Molecular Weight (g/mol) 356.44
MDL Number MFCD00227871
SMILES CCOP(=O)(CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)OCC
Synonym 3,5-Di-tert-butyl-4-hydroxybenzylphosphonic Acid Diethyl Ester
IUPAC Name diethyl [(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]phosphonate
InChI Key GJDRKHHGPHLVNI-UHFFFAOYSA-N
Molecular Formula C19H33O4P