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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 (64,928)
Phenols (11,906)
Naphthalenes (4,958)
Fluorenes (1,242)
Unsubstituted Phenols (1,173)
Thiophenols (610)
Phenol esters (426)
Anthracenes (400)
Tetralins (329)
Phenanthrenes and derivatives (300)
Triphenyl compounds (290)
Indanes (288)
Pyrenes (217)
Dibenzocycloheptenes (65)
Ellagic acids and derivatives (33)
Naphthacenes (31)
Acenaphthylenes (16)
Pentacenequinones (16)
Pentacenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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8,986 – 9,000 of 73,813 results
8,986

Lumefantrine 98.0+%, TCI America™
SDP

CAS: 82186-77-4 Molecular Formula: C30H32Cl3NO Molecular Weight (g/mol): 528.94 MDL Number: MFCD05662268 InChI Key: DYLGFOYVTXJFJP-MYYYXRDXNA-N Synonym: Benflumetol, (9Z)-2,7-Dichloro-9-[(4-chlorophenyl)methylene]-alpha-[(dibutylamino)methyl]-9H-fluoren-4-methanol PubChem CID: 6437380 ChEBI: CHEBI:156095 IUPAC Name: 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol SMILES: CCCCN(CCCC)CC(O)C1=CC(Cl)=CC2=C1C1=CC=C(Cl)C=C1\C2=C\C1=CC=C(Cl)C=C1

PubChem CID 6437380
CAS 82186-77-4
Molecular Weight (g/mol) 528.94
ChEBI CHEBI:156095
MDL Number MFCD05662268
SMILES CCCCN(CCCC)CC(O)C1=CC(Cl)=CC2=C1C1=CC=C(Cl)C=C1\C2=C\C1=CC=C(Cl)C=C1
Synonym Benflumetol, (9Z)-2,7-Dichloro-9-[(4-chlorophenyl)methylene]-alpha-[(dibutylamino)methyl]-9H-fluoren-4-methanol
IUPAC Name 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol
InChI Key DYLGFOYVTXJFJP-MYYYXRDXNA-N
Molecular Formula C30H32Cl3NO
8,987

4-Hydroxy-3,5-dimethylbenzonitrile 95.0+%, TCI America™
SDP

CAS: 4198-90-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00221716 InChI Key: WFYGXOWFEIOHCZ-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-hydroxybenzonitrile,4-cyano-2,6-dimethylphenol,2,6-dimethyl-4-cyanophenol,4-hydroxy-3,5-dimethyl-benzonitrile,3,5-dimethyl-4-hydroxy benzonitrile,benzonitrile, 3,5-dimethyl-4-hydroxy,4-hydroxy-3,5-dimethylbenzenecarbonitrile,benzonitrile, 4-hydroxy-3,5-dimethyl,pubchem11065,acmc-209jmm PubChem CID: 20176 IUPAC Name: 4-hydroxy-3,5-dimethylbenzonitrile SMILES: CC1=CC(=CC(=C1O)C)C#N

PubChem CID 20176
CAS 4198-90-7
Molecular Weight (g/mol) 147.177
MDL Number MFCD00221716
SMILES CC1=CC(=CC(=C1O)C)C#N
Synonym 3,5-dimethyl-4-hydroxybenzonitrile,4-cyano-2,6-dimethylphenol,2,6-dimethyl-4-cyanophenol,4-hydroxy-3,5-dimethyl-benzonitrile,3,5-dimethyl-4-hydroxy benzonitrile,benzonitrile, 3,5-dimethyl-4-hydroxy,4-hydroxy-3,5-dimethylbenzenecarbonitrile,benzonitrile, 4-hydroxy-3,5-dimethyl,pubchem11065,acmc-209jmm
IUPAC Name 4-hydroxy-3,5-dimethylbenzonitrile
InChI Key WFYGXOWFEIOHCZ-UHFFFAOYSA-N
Molecular Formula C9H9NO
8,988

3-Methyl-4-nitrobenzyl Alcohol 98.0+%, TCI America™
SDP

CAS: 80866-75-7 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00007171 InChI Key: KOVQGYQQVNCUBR-UHFFFAOYSA-N Synonym: 3-methyl-4-nitrobenzyl alcohol,3-methyl-4-nitrophenyl methanol,3-methyl-4-nitrobenzylalcohol,benzenemethanol, 3-methyl-4-nitro,acmc-20an0j,4-nitro-3-methylbenzyl alcohol,3-methyl-4-nitro-phenyl methanol,benzenemethanol,3-methyl-4-nitro,3-methyl-4-nitro-phenyl-methanol,3-methyl-4-nitrophenyl methanol # PubChem CID: 591360 IUPAC Name: (3-methyl-4-nitrophenyl)methanol SMILES: CC1=C(C=CC(=C1)CO)[N+](=O)[O-]

PubChem CID 591360
CAS 80866-75-7
Molecular Weight (g/mol) 167.164
MDL Number MFCD00007171
SMILES CC1=C(C=CC(=C1)CO)[N+](=O)[O-]
Synonym 3-methyl-4-nitrobenzyl alcohol,3-methyl-4-nitrophenyl methanol,3-methyl-4-nitrobenzylalcohol,benzenemethanol, 3-methyl-4-nitro,acmc-20an0j,4-nitro-3-methylbenzyl alcohol,3-methyl-4-nitro-phenyl methanol,benzenemethanol,3-methyl-4-nitro,3-methyl-4-nitro-phenyl-methanol,3-methyl-4-nitrophenyl methanol #
IUPAC Name (3-methyl-4-nitrophenyl)methanol
InChI Key KOVQGYQQVNCUBR-UHFFFAOYSA-N
Molecular Formula C8H9NO3
8,989

4-Propylbenzoic Acid 99.0+%, TCI America™
SDP

CAS: 2438-05-3 Molecular Formula: C10H11O2 Molecular Weight (g/mol): 163.20 MDL Number: MFCD00013996 InChI Key: ATZHGRNFEFVDDJ-UHFFFAOYSA-M Synonym: 4-n-propylbenzoic acid,benzoic acid, 4-propyl,4-propyl-benzoic acid,p-n-propyl benzoic acid,p-propylbenzoic acid,unii-3p1v85e45o,4-propylbenzoicacid,p-propyl benzoic acid,4-propylbenzolic acid,pubchem1348 PubChem CID: 137601 IUPAC Name: 4-propylbenzoic acid SMILES: CCCC1=CC=C(C=C1)C(=O)O

PubChem CID 137601
CAS 2438-05-3
Molecular Weight (g/mol) 163.20
MDL Number MFCD00013996
SMILES CCCC1=CC=C(C=C1)C(=O)O
Synonym 4-n-propylbenzoic acid,benzoic acid, 4-propyl,4-propyl-benzoic acid,p-n-propyl benzoic acid,p-propylbenzoic acid,unii-3p1v85e45o,4-propylbenzoicacid,p-propyl benzoic acid,4-propylbenzolic acid,pubchem1348
IUPAC Name 4-propylbenzoic acid
InChI Key ATZHGRNFEFVDDJ-UHFFFAOYSA-M
Molecular Formula C10H11O2
8,990

2-[2-(Trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 98.0+%, TCI America™
SDP

CAS: 1073339-21-5 Molecular Formula: C13H16BF3O2 Molecular Weight (g/mol): 272.074 MDL Number: MFCD06795676 InChI Key: HBQNDHPCMDZKNT-UHFFFAOYSA-N Synonym: 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)benzene PubChem CID: 17750282 IUPAC Name: 4,4,5,5-tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(F)(F)F

PubChem CID 17750282
CAS 1073339-21-5
Molecular Weight (g/mol) 272.074
MDL Number MFCD06795676
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(F)(F)F
Synonym 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)benzene
IUPAC Name 4,4,5,5-tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
InChI Key HBQNDHPCMDZKNT-UHFFFAOYSA-N
Molecular Formula C13H16BF3O2
8,991

4-Iodo-4'-propylbiphenyl 98.0+%, TCI America™
SDP

CAS: 782477-81-0 Molecular Formula: C15H15I Molecular Weight (g/mol): 322.19 MDL Number: MFCD12923241 InChI Key: MKDLYSABBHXXSV-UHFFFAOYSA-N PubChem CID: 53401151 IUPAC Name: 4-iodo-4'-propyl-1,1'-biphenyl SMILES: CCCC1=CC=C(C=C1)C1=CC=C(I)C=C1

PubChem CID 53401151
CAS 782477-81-0
Molecular Weight (g/mol) 322.19
MDL Number MFCD12923241
SMILES CCCC1=CC=C(C=C1)C1=CC=C(I)C=C1
IUPAC Name 4-iodo-4'-propyl-1,1'-biphenyl
InChI Key MKDLYSABBHXXSV-UHFFFAOYSA-N
Molecular Formula C15H15I
8,992

9,9-Bis(4-aminophenyl)fluorene (purified by sublimation) 99.0+%, TCI America™
SDP

CAS: 15499-84-0 Molecular Formula: C25H20N2 Molecular Weight (g/mol): 348.449 MDL Number: MFCD00039156 InChI Key: KIFDSGGWDIVQGN-UHFFFAOYSA-N Synonym: 4,4′C-(9-Fluorenylidene)dianiline PubChem CID: 631552 IUPAC Name: 4-[9-(4-aminophenyl)fluoren-9-yl]aniline SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)N)C5=CC=C(C=C5)N

PubChem CID 631552
CAS 15499-84-0
Molecular Weight (g/mol) 348.449
MDL Number MFCD00039156
SMILES C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)N)C5=CC=C(C=C5)N
Synonym 4,4′C-(9-Fluorenylidene)dianiline
IUPAC Name 4-[9-(4-aminophenyl)fluoren-9-yl]aniline
InChI Key KIFDSGGWDIVQGN-UHFFFAOYSA-N
Molecular Formula C25H20N2
8,993

4-Hydroxy-3-nitrophenylarsonic Acid 98.0+%, TCI America™
SDP

CAS: 121-19-7 Molecular Formula: C6H6AsNO6 Molecular Weight (g/mol): 263.037 MDL Number: MFCD00007112 InChI Key: XMVJITFPVVRMHC-UHFFFAOYSA-N Synonym: roxarsone,3-nitro,ristat,4-hydroxy-3-nitrobenzenearsonic acid,aklomix-3,roxarson,ren-o-sal,3-nitro-10,3n4hpa,nitrophenolarsonic acid PubChem CID: 5104 ChEBI: CHEBI:35817 IUPAC Name: (4-hydroxy-3-nitrophenyl)arsonic acid SMILES: C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O

PubChem CID 5104
CAS 121-19-7
Molecular Weight (g/mol) 263.037
ChEBI CHEBI:35817
MDL Number MFCD00007112
SMILES C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O
Synonym roxarsone,3-nitro,ristat,4-hydroxy-3-nitrobenzenearsonic acid,aklomix-3,roxarson,ren-o-sal,3-nitro-10,3n4hpa,nitrophenolarsonic acid
IUPAC Name (4-hydroxy-3-nitrophenyl)arsonic acid
InChI Key XMVJITFPVVRMHC-UHFFFAOYSA-N
Molecular Formula C6H6AsNO6
8,994

2-Bromo-3-nitrotoluene 98.0+%, TCI America™
SDP

CAS: 41085-43-2 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD00134555 InChI Key: GCAAVRIWNMTOKB-UHFFFAOYSA-N Synonym: 2-bromo-3-nitrotoluene,2-bromo-3-methylnitrobenzen,2-bromo-3-methylnitrobenzene,benzene, 2-bromo-1-methyl-3-nitro,2-bromo-1-methyl-3-nitro-benzene,2-brom-1-methyl-3-nitrobenzol,pubchem4531,acmc-1ajt4,ksc493s8t PubChem CID: 231828 IUPAC Name: 2-bromo-1-methyl-3-nitrobenzene SMILES: CC1=CC=CC(=C1Br)[N+]([O-])=O

PubChem CID 231828
CAS 41085-43-2
Molecular Weight (g/mol) 216.03
MDL Number MFCD00134555
SMILES CC1=CC=CC(=C1Br)[N+]([O-])=O
Synonym 2-bromo-3-nitrotoluene,2-bromo-3-methylnitrobenzen,2-bromo-3-methylnitrobenzene,benzene, 2-bromo-1-methyl-3-nitro,2-bromo-1-methyl-3-nitro-benzene,2-brom-1-methyl-3-nitrobenzol,pubchem4531,acmc-1ajt4,ksc493s8t
IUPAC Name 2-bromo-1-methyl-3-nitrobenzene
InChI Key GCAAVRIWNMTOKB-UHFFFAOYSA-N
Molecular Formula C7H6BrNO2
8,995

4-(Methylthio)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
SDP

PubChem CID 2733959
CAS 98546-51-1
Molecular Weight (g/mol) 168.017
MDL Number MFCD00093410
Color White-Yellow
Physical Form Crystalline Powder
SMILES B(C1=CC=C(C=C1)SC)(O)O
TSCA No
IUPAC Name (4-methylsulfanylphenyl)boronic acid
InChI Key IVUHTLFKBDDICS-UHFFFAOYSA-N
Molecular Formula C7H9BO2S
Formula Weight 168.02
Melting Point 213°C
8,996

4-Trifluoromethylbenzoic Anhydride 97.0+%, TCI America™
SDP

CAS: 25753-16-6 Molecular Formula: C16H8F6O3 Molecular Weight (g/mol): 362.227 MDL Number: MFCD00671577 InChI Key: FNAWJOBKLWLHTA-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzoic anhydride,tfba,4-trifluoromethylbenzoic anhydride,4-trifluoromethyl benzoyl 4-trifluoromethyl benzoate,benzoic acid,4-trifluoromethyl-, anhydride with 4-trifluoromethyl benzoic acid,acmc-1cg53,p-trifluoromethylbenzoic acid anhydride,bis 4-trifluoromethylbenzoic acid anhydride,benzoic acid, 4-trifluoromethyl-, anhydride PubChem CID: 2760733 IUPAC Name: [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate SMILES: C1=CC(=CC=C1C(=O)OC(=O)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F

PubChem CID 2760733
CAS 25753-16-6
Molecular Weight (g/mol) 362.227
MDL Number MFCD00671577
SMILES C1=CC(=CC=C1C(=O)OC(=O)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F
Synonym 4-trifluoromethyl benzoic anhydride,tfba,4-trifluoromethylbenzoic anhydride,4-trifluoromethyl benzoyl 4-trifluoromethyl benzoate,benzoic acid,4-trifluoromethyl-, anhydride with 4-trifluoromethyl benzoic acid,acmc-1cg53,p-trifluoromethylbenzoic acid anhydride,bis 4-trifluoromethylbenzoic acid anhydride,benzoic acid, 4-trifluoromethyl-, anhydride
IUPAC Name [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate
InChI Key FNAWJOBKLWLHTA-UHFFFAOYSA-N
Molecular Formula C16H8F6O3
8,997

Isovanillyl Alcohol 98.0+%, TCI America™
SDP

CAS: 4383-06-6 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 InChI Key: WHKRHBLAJFYZKF-UHFFFAOYSA-N Synonym: 3-hydroxy-4-methoxybenzyl alcohol,5-hydroxymethyl-2-methoxyphenol,isovanillyl alcohol,3-hydroxy-4-methoxybenzylalcohol,benzenemethanol, 3-hydroxy-4-methoxy,4-methoxy-3-hydroxy benzyl alcohol,pubchem15050,ksc495i5l,3-hydroxy-4-methoxy-benzyl alcohol,3-hydroxy-4-methoxy benzyl alcohol PubChem CID: 78089 IUPAC Name: 5-(hydroxymethyl)-2-methoxyphenol SMILES: COC1=C(C=C(C=C1)CO)O

PubChem CID 78089
CAS 4383-06-6
Molecular Weight (g/mol) 154.17
SMILES COC1=C(C=C(C=C1)CO)O
Synonym 3-hydroxy-4-methoxybenzyl alcohol,5-hydroxymethyl-2-methoxyphenol,isovanillyl alcohol,3-hydroxy-4-methoxybenzylalcohol,benzenemethanol, 3-hydroxy-4-methoxy,4-methoxy-3-hydroxy benzyl alcohol,pubchem15050,ksc495i5l,3-hydroxy-4-methoxy-benzyl alcohol,3-hydroxy-4-methoxy benzyl alcohol
IUPAC Name 5-(hydroxymethyl)-2-methoxyphenol
InChI Key WHKRHBLAJFYZKF-UHFFFAOYSA-N
Molecular Formula C8H10O3
8,998

2,4,5-Trimethoxybenzoic Acid 98.0+%, TCI America™
SDP

CAS: 490-64-2 Molecular Formula: C10H11O5 Molecular Weight (g/mol): 211.19 MDL Number: MFCD00002435 InChI Key: KVZUCOGWKYOPID-UHFFFAOYSA-M Synonym: asaronic acid,benzoic acid, 2,4,5-trimethoxy,asarylic acid,calamonic acid,acmc-209ket,2,4,5-trimethoxybenzoicacid,ksc489o7d,2,4,5-trimethoxy-benzoic acid,2,4,5-trimethoxybenzoic acid,alpha-hydroxyphenylacetic acid; amygdalic acid; alpha-hydroxyphenylacetic acid; alpha-hydroxy-benzeneacetic acid PubChem CID: 10276 IUPAC Name: 2,4,5-trimethoxybenzoate SMILES: COC1=CC(OC)=C(C=C1OC)C([O-])=O

PubChem CID 10276
CAS 490-64-2
Molecular Weight (g/mol) 211.19
MDL Number MFCD00002435
SMILES COC1=CC(OC)=C(C=C1OC)C([O-])=O
Synonym asaronic acid,benzoic acid, 2,4,5-trimethoxy,asarylic acid,calamonic acid,acmc-209ket,2,4,5-trimethoxybenzoicacid,ksc489o7d,2,4,5-trimethoxy-benzoic acid,2,4,5-trimethoxybenzoic acid,alpha-hydroxyphenylacetic acid; amygdalic acid; alpha-hydroxyphenylacetic acid; alpha-hydroxy-benzeneacetic acid
IUPAC Name 2,4,5-trimethoxybenzoate
InChI Key KVZUCOGWKYOPID-UHFFFAOYSA-M
Molecular Formula C10H11O5
8,999

Cumylamine 98.0+%, TCI America™
SDP

CAS: 585-32-0 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00134680 InChI Key: KDFDOINBXBEOLZ-UHFFFAOYSA-N Synonym: cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine PubChem CID: 68509 IUPAC Name: 2-phenylpropan-2-amine SMILES: CC(C)(N)C1=CC=CC=C1

PubChem CID 68509
CAS 585-32-0
Molecular Weight (g/mol) 135.21
MDL Number MFCD00134680
SMILES CC(C)(N)C1=CC=CC=C1
Synonym cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine
IUPAC Name 2-phenylpropan-2-amine
InChI Key KDFDOINBXBEOLZ-UHFFFAOYSA-N
Molecular Formula C9H13N
9,000

4-Benzoylbenzoic Acid 98.0+%, TCI America™
SDP

CAS: 611-95-0 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.231 MDL Number: MFCD00002560 InChI Key: IFQUPKAISSPFTE-UHFFFAOYSA-N Synonym: p-benzoylbenzoic acid,benzoic acid, 4-benzoyl,4-carboxybenzophenone,4-benzoyl-benzoic acid,4-phenylcarbonyl benzoic acid,benzoic acid, p-benzoyl,benzophenone-4-carboxylic acid,4-benzoyl benzoic acid,pubchem14544,acmc-209mpx PubChem CID: 69147 IUPAC Name: 4-benzoylbenzoic acid SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O

PubChem CID 69147
CAS 611-95-0
Molecular Weight (g/mol) 226.231
MDL Number MFCD00002560
SMILES C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O
Synonym p-benzoylbenzoic acid,benzoic acid, 4-benzoyl,4-carboxybenzophenone,4-benzoyl-benzoic acid,4-phenylcarbonyl benzoic acid,benzoic acid, p-benzoyl,benzophenone-4-carboxylic acid,4-benzoyl benzoic acid,pubchem14544,acmc-209mpx
IUPAC Name 4-benzoylbenzoic acid
InChI Key IFQUPKAISSPFTE-UHFFFAOYSA-N
Molecular Formula C14H10O3