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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 (67,618)
Phenols (13,422)
Naphthalenes (5,064)
Fluorenes (1,235)
Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (559)
Anthracenes (413)
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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10,546 – 10,560 of 78,434 results
10,546

Methyl 5-Bromo-2-iodobenzoate 95.0+%, TCI America™

CAS: 181765-86-6 Molecular Formula: C8H6BrIO2 Molecular Weight (g/mol): 340.94 MDL Number: MFCD00144771 InChI Key: CJRHLSZJEFJDLA-UHFFFAOYSA-N Synonym: 5-Bromo-2-iodobenzoic Acid Methyl Ester PubChem CID: 11078356 IUPAC Name: methyl 5-bromo-2-iodobenzoate SMILES: COC(=O)C1=C(I)C=CC(Br)=C1

PubChem CID 11078356
CAS 181765-86-6
Molecular Weight (g/mol) 340.94
MDL Number MFCD00144771
SMILES COC(=O)C1=C(I)C=CC(Br)=C1
Synonym 5-Bromo-2-iodobenzoic Acid Methyl Ester
IUPAC Name methyl 5-bromo-2-iodobenzoate
InChI Key CJRHLSZJEFJDLA-UHFFFAOYSA-N
Molecular Formula C8H6BrIO2
10,547

Tetraethylammonium p-Toluenesulfonate 98.0+%, TCI America™

CAS: 733-44-8 Molecular Formula: C15H27NO3S Molecular Weight (g/mol): 301.445 MDL Number: MFCD00011831 InChI Key: QKFFSWPNFCXGIQ-UHFFFAOYSA-M Synonym: tetraethylammonium p-toluenesulfonate,tetraethylammonium tosylate,ethanaminium, n,n,n-triethyl-, salt with 4-methylbenzenesulfonic acid 1:1,tetraethylammonium 4-methylbenzenesulfonate,ethanaminium, n,n,n-triethyl-, 4-methylbenzenesulfonate 1:1,4-methylbenzenesulfonate; tetraethylazanium,et4nots,tetraethylammonium p-toluenesulphonate,acmc-209oql,n,n,n-triethylethanaminium-4-methylbenzolsulfonat PubChem CID: 101846 IUPAC Name: 4-methylbenzenesulfonate;tetraethylazanium SMILES: CC[N+](CC)(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

PubChem CID 101846
CAS 733-44-8
Molecular Weight (g/mol) 301.445
MDL Number MFCD00011831
SMILES CC[N+](CC)(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Synonym tetraethylammonium p-toluenesulfonate,tetraethylammonium tosylate,ethanaminium, n,n,n-triethyl-, salt with 4-methylbenzenesulfonic acid 1:1,tetraethylammonium 4-methylbenzenesulfonate,ethanaminium, n,n,n-triethyl-, 4-methylbenzenesulfonate 1:1,4-methylbenzenesulfonate; tetraethylazanium,et4nots,tetraethylammonium p-toluenesulphonate,acmc-209oql,n,n,n-triethylethanaminium-4-methylbenzolsulfonat
IUPAC Name 4-methylbenzenesulfonate;tetraethylazanium
InChI Key QKFFSWPNFCXGIQ-UHFFFAOYSA-M
Molecular Formula C15H27NO3S
10,548

2,4,5-Trifluoro-1,3-phenylenediamine 98.0+%, TCI America™

CAS: 321182-37-0 Molecular Formula: C6H5F3N2 Molecular Weight (g/mol): 162.115 MDL Number: MFCD04114298 InChI Key: ONVSXVVJFJJZQX-UHFFFAOYSA-N Synonym: 1,3-Diamino-2,4,5-trifluorobenzene PubChem CID: 15531223 IUPAC Name: 2,4,5-trifluorobenzene-1,3-diamine SMILES: C1=C(C(=C(C(=C1F)F)N)F)N

PubChem CID 15531223
CAS 321182-37-0
Molecular Weight (g/mol) 162.115
MDL Number MFCD04114298
SMILES C1=C(C(=C(C(=C1F)F)N)F)N
Synonym 1,3-Diamino-2,4,5-trifluorobenzene
IUPAC Name 2,4,5-trifluorobenzene-1,3-diamine
InChI Key ONVSXVVJFJJZQX-UHFFFAOYSA-N
Molecular Formula C6H5F3N2
10,549

Methyl 3-Amino-2-methylbenzoate 98.0+%, TCI America™

CAS: 18583-89-6 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00211328 InChI Key: ZOOQFAUFPWXUMI-UHFFFAOYSA-N Synonym: 3-amino-2-methylbenzoic acid methyl ester,methyl3-amino-2-methylbenzoate,methyl-2-methyl-3-aminobenzoate,methyl 3-amino-2-methyl-benzoate,methyl2-methyl-3-aminobenzoate,3-amino-o-toluic acid methyl ester,benzoic acid, 3-amino-2-methyl-, methyl ester,pubchem4978,acmc-1c8sv,ksc495o4h PubChem CID: 3801025 IUPAC Name: methyl 3-amino-2-methylbenzoate SMILES: CC1=C(C=CC=C1N)C(=O)OC

PubChem CID 3801025
CAS 18583-89-6
Molecular Weight (g/mol) 165.192
MDL Number MFCD00211328
SMILES CC1=C(C=CC=C1N)C(=O)OC
Synonym 3-amino-2-methylbenzoic acid methyl ester,methyl3-amino-2-methylbenzoate,methyl-2-methyl-3-aminobenzoate,methyl 3-amino-2-methyl-benzoate,methyl2-methyl-3-aminobenzoate,3-amino-o-toluic acid methyl ester,benzoic acid, 3-amino-2-methyl-, methyl ester,pubchem4978,acmc-1c8sv,ksc495o4h
IUPAC Name methyl 3-amino-2-methylbenzoate
InChI Key ZOOQFAUFPWXUMI-UHFFFAOYSA-N
Molecular Formula C9H11NO2
10,550

2-Fluorobenzyl Cyanide 97.0+%, TCI America™

CAS: 326-62-5 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.14 MDL Number: MFCD00001897 InChI Key: DAVJMKMVLKOQQC-UHFFFAOYSA-N Synonym: 2-fluorophenylacetonitrile,2-fluorobenzyl cyanide,2-2-fluorophenyl acetonitrile,benzeneacetonitrile, 2-fluoro,o-fluorophenylacetonitrile,o-fluorobenzyl cyanide,2-fluorophenyl acetonitrile,acetonitrile, o-fluorophenyl,2-2-fluorophenyl ethanenitrile,2-fluorobenzeneacetonitrile PubChem CID: 67592 IUPAC Name: 2-(2-fluorophenyl)acetonitrile SMILES: FC1=CC=CC=C1CC#N

PubChem CID 67592
CAS 326-62-5
Molecular Weight (g/mol) 135.14
MDL Number MFCD00001897
SMILES FC1=CC=CC=C1CC#N
Synonym 2-fluorophenylacetonitrile,2-fluorobenzyl cyanide,2-2-fluorophenyl acetonitrile,benzeneacetonitrile, 2-fluoro,o-fluorophenylacetonitrile,o-fluorobenzyl cyanide,2-fluorophenyl acetonitrile,acetonitrile, o-fluorophenyl,2-2-fluorophenyl ethanenitrile,2-fluorobenzeneacetonitrile
IUPAC Name 2-(2-fluorophenyl)acetonitrile
InChI Key DAVJMKMVLKOQQC-UHFFFAOYSA-N
Molecular Formula C8H6FN
10,551

Coronene 83.0+%, TCI America™

CAS: 191-07-1 Molecular Formula: C24H12 Molecular Weight (g/mol): 300.36 MDL Number: MFCD00004134 InChI Key: VPUGDVKSAQVFFS-UHFFFAOYSA-N Synonym: hexabenzobenzene,dibenzo ghi,pqr perylene,superbenzene,unii-7yy0x5xt1w,ccris 908,7yy0x5xt1w,6 circulene,coronene,acmc-209eul PubChem CID: 9115 ChEBI: CHEBI:29863 IUPAC Name: coronene SMILES: C1=CC2=CC=C3C=CC4=CC=C5C=CC6=CC=C1C1=C2C3=C4C5=C61

PubChem CID 9115
CAS 191-07-1
Molecular Weight (g/mol) 300.36
ChEBI CHEBI:29863
MDL Number MFCD00004134
SMILES C1=CC2=CC=C3C=CC4=CC=C5C=CC6=CC=C1C1=C2C3=C4C5=C61
Synonym hexabenzobenzene,dibenzo ghi,pqr perylene,superbenzene,unii-7yy0x5xt1w,ccris 908,7yy0x5xt1w,6 circulene,coronene,acmc-209eul
IUPAC Name coronene
InChI Key VPUGDVKSAQVFFS-UHFFFAOYSA-N
Molecular Formula C24H12
10,552

4-Methoxy-2,3,6-trimethylbenzaldehyde 98.0+%, TCI America™

CAS: 54344-92-2 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00456729 InChI Key: BTOFIDLWQJCUJG-UHFFFAOYSA-N Synonym: 2,3,6-Trimethyl-p-anisaldehyde PubChem CID: 824142 IUPAC Name: 4-methoxy-2,3,6-trimethylbenzaldehyde SMILES: CC1=CC(=C(C(=C1C=O)C)C)OC

PubChem CID 824142
CAS 54344-92-2
Molecular Weight (g/mol) 178.231
MDL Number MFCD00456729
SMILES CC1=CC(=C(C(=C1C=O)C)C)OC
Synonym 2,3,6-Trimethyl-p-anisaldehyde
IUPAC Name 4-methoxy-2,3,6-trimethylbenzaldehyde
InChI Key BTOFIDLWQJCUJG-UHFFFAOYSA-N
Molecular Formula C11H14O2
10,553

4',6,7-Trimethoxyisoflavone 97.0+%, TCI America™

CAS: 798-61-8 Molecular Formula: C18H16O5 Molecular Weight (g/mol): 312.321 MDL Number: MFCD00016949 InChI Key: YHXIOAVHEXKZCQ-UHFFFAOYSA-N Synonym: 6,7-Dimethoxy-3-(4-methoxyphenyl)chromone PubChem CID: 688655 IUPAC Name: 6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC

PubChem CID 688655
CAS 798-61-8
Molecular Weight (g/mol) 312.321
MDL Number MFCD00016949
SMILES COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC
Synonym 6,7-Dimethoxy-3-(4-methoxyphenyl)chromone
IUPAC Name 6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
InChI Key YHXIOAVHEXKZCQ-UHFFFAOYSA-N
Molecular Formula C18H16O5
10,554

3,5-Dibromo-1-trimethylsilylbenzene 97.0+%, TCI America™

CAS: 17878-23-8 Molecular Formula: C9H12Br2Si Molecular Weight (g/mol): 308.09 MDL Number: MFCD03844787 InChI Key: SZQQTWLBYAKIOT-UHFFFAOYSA-N Synonym: (3,5-Dibromophenyl)trimethylsilane PubChem CID: 626244 IUPAC Name: (3,5-dibromophenyl)trimethylsilane SMILES: C[Si](C)(C)C1=CC(Br)=CC(Br)=C1

PubChem CID 626244
CAS 17878-23-8
Molecular Weight (g/mol) 308.09
MDL Number MFCD03844787
SMILES C[Si](C)(C)C1=CC(Br)=CC(Br)=C1
Synonym (3,5-Dibromophenyl)trimethylsilane
IUPAC Name (3,5-dibromophenyl)trimethylsilane
InChI Key SZQQTWLBYAKIOT-UHFFFAOYSA-N
Molecular Formula C9H12Br2Si
10,555

4-Hydroxyphenylpyruvic Acid 95.0+%, TCI America™

CAS: 156-39-8 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00002591 InChI Key: KKADPXVIOXHVKN-UHFFFAOYSA-N Synonym: 4-hydroxyphenylpyruvic acid,testacid,3-4-hydroxyphenyl-2-oxopropanoic acid,p-hydroxyphenylpyruvic acid,testacide,4-hydroxyphenylpyruvate,3-4-hydroxyphenyl pyruvic acid,p-hydroxyphenyl pyruvic acid,3-p-hydroxyphenyl pyruvic acid,3-p-hydroxyphenyl-2-oxopropanoic acid PubChem CID: 979 ChEBI: CHEBI:15999 IUPAC Name: 3-(4-hydroxyphenyl)-2-oxopropanoic acid SMILES: C1=CC(=CC=C1CC(=O)C(=O)O)O

PubChem CID 979
CAS 156-39-8
Molecular Weight (g/mol) 180.159
ChEBI CHEBI:15999
MDL Number MFCD00002591
SMILES C1=CC(=CC=C1CC(=O)C(=O)O)O
Synonym 4-hydroxyphenylpyruvic acid,testacid,3-4-hydroxyphenyl-2-oxopropanoic acid,p-hydroxyphenylpyruvic acid,testacide,4-hydroxyphenylpyruvate,3-4-hydroxyphenyl pyruvic acid,p-hydroxyphenyl pyruvic acid,3-p-hydroxyphenyl pyruvic acid,3-p-hydroxyphenyl-2-oxopropanoic acid
IUPAC Name 3-(4-hydroxyphenyl)-2-oxopropanoic acid
InChI Key KKADPXVIOXHVKN-UHFFFAOYSA-N
Molecular Formula C9H8O4
10,556

2,4'-Dihydroxydiphenyl Sulfone 98.0+%, TCI America™

CAS: 5397-34-2 Molecular Formula: C12H10O4S Molecular Weight (g/mol): 250.27 MDL Number: MFCD01631305 InChI Key: LROZSPADHSXFJA-UHFFFAOYSA-N PubChem CID: 79381 IUPAC Name: 4-(2-hydroxybenzenesulfonyl)phenol SMILES: OC1=CC=C(C=C1)S(=O)(=O)C1=CC=CC=C1O

PubChem CID 79381
CAS 5397-34-2
Molecular Weight (g/mol) 250.27
MDL Number MFCD01631305
SMILES OC1=CC=C(C=C1)S(=O)(=O)C1=CC=CC=C1O
IUPAC Name 4-(2-hydroxybenzenesulfonyl)phenol
InChI Key LROZSPADHSXFJA-UHFFFAOYSA-N
Molecular Formula C12H10O4S
10,557

3-Chlorobenzoic Acid 99.0+%, TCI America™

CAS: 535-80-8 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00002491 InChI Key: LULAYUGMBFYYEX-UHFFFAOYSA-N Synonym: m-chlorobenzoic acid,benzoic acid, 3-chloro,benzoic acid, m-chloro,3-chlorobenzoicacid,3-chloro-benzoic acid,m-chlorobenzoate,acido m-clorobenzoico,unii-02uoj7064k,mcba,ccris 5992 PubChem CID: 447 ChEBI: CHEBI:49410 IUPAC Name: 3-chlorobenzoic acid SMILES: C1=CC(=CC(=C1)Cl)C(=O)O

PubChem CID 447
CAS 535-80-8
Molecular Weight (g/mol) 156.565
ChEBI CHEBI:49410
MDL Number MFCD00002491
SMILES C1=CC(=CC(=C1)Cl)C(=O)O
Synonym m-chlorobenzoic acid,benzoic acid, 3-chloro,benzoic acid, m-chloro,3-chlorobenzoicacid,3-chloro-benzoic acid,m-chlorobenzoate,acido m-clorobenzoico,unii-02uoj7064k,mcba,ccris 5992
IUPAC Name 3-chlorobenzoic acid
InChI Key LULAYUGMBFYYEX-UHFFFAOYSA-N
Molecular Formula C7H5ClO2
10,558

2-Isopropylphenol 98.0+%, TCI America™

CAS: 88-69-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002224 InChI Key: CRBJBYGJVIBWIY-UHFFFAOYSA-N Synonym: 2-isopropylphenol,o-hydroxycumene,o-isopropylphenol,o-cumenol,1-hydroxy-2-isopropylbenzene,2-propan-2-yl phenol,2-1-methylethyl phenol,phenol, o-isopropyl,phenol, 2-1-methylethyl,isopropylphenol PubChem CID: 6943 ChEBI: CHEBI:38506 IUPAC Name: 2-propan-2-ylphenol SMILES: CC(C)C1=CC=CC=C1O

PubChem CID 6943
CAS 88-69-7
Molecular Weight (g/mol) 136.194
ChEBI CHEBI:38506
MDL Number MFCD00002224
SMILES CC(C)C1=CC=CC=C1O
Synonym 2-isopropylphenol,o-hydroxycumene,o-isopropylphenol,o-cumenol,1-hydroxy-2-isopropylbenzene,2-propan-2-yl phenol,2-1-methylethyl phenol,phenol, o-isopropyl,phenol, 2-1-methylethyl,isopropylphenol
IUPAC Name 2-propan-2-ylphenol
InChI Key CRBJBYGJVIBWIY-UHFFFAOYSA-N
Molecular Formula C9H12O
10,559

Benzyldodecyldimethylammonium Bromide 97.0+%, TCI America™

CAS: 7281-04-1 Molecular Formula: C21H38BrN Molecular Weight (g/mol): 384.45 MDL Number: MFCD00011768 InChI Key: KHSLHYAUZSPBIU-UHFFFAOYSA-M PubChem CID: 23705 IUPAC Name: benzyl-dodecyl-dimethylazanium;bromide SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]

PubChem CID 23705
CAS 7281-04-1
Molecular Weight (g/mol) 384.45
MDL Number MFCD00011768
SMILES CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]
IUPAC Name benzyl-dodecyl-dimethylazanium;bromide
InChI Key KHSLHYAUZSPBIU-UHFFFAOYSA-M
Molecular Formula C21H38BrN
10,560

4-(Trifluoromethoxy)aniline 98.0+%, TCI America™

CAS: 461-82-5 Molecular Formula: C7H6F3NO Molecular Weight (g/mol): 177.126 MDL Number: MFCD00041314 InChI Key: XUJFOSLZQITUOI-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy aniline,4-trifluoromethoxy-phenylamine,4-trifluoromethoxy benzenamine,p-trifluoromethoxyaniline,4-trifluoroethoxy aniline,benzenamine, 4-trifluoromethoxy,unii-p40l42cvf6,alpha,alpha,alpha-trifluoro-p-anisidine,p-aminotrifluoromethoxybenzene,4-amino-alpha,alpha,alpha-trifluoroanisole PubChem CID: 600848 IUPAC Name: 4-(trifluoromethoxy)aniline SMILES: C1=CC(=CC=C1N)OC(F)(F)F

PubChem CID 600848
CAS 461-82-5
Molecular Weight (g/mol) 177.126
MDL Number MFCD00041314
SMILES C1=CC(=CC=C1N)OC(F)(F)F
Synonym 4-trifluoromethoxy aniline,4-trifluoromethoxy-phenylamine,4-trifluoromethoxy benzenamine,p-trifluoromethoxyaniline,4-trifluoroethoxy aniline,benzenamine, 4-trifluoromethoxy,unii-p40l42cvf6,alpha,alpha,alpha-trifluoro-p-anisidine,p-aminotrifluoromethoxybenzene,4-amino-alpha,alpha,alpha-trifluoroanisole
IUPAC Name 4-(trifluoromethoxy)aniline
InChI Key XUJFOSLZQITUOI-UHFFFAOYSA-N
Molecular Formula C7H6F3NO