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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 (67,704)
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Naphthalenes (5,073)
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Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (564)
Anthracenes (413)
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Tetralins (327)
Indanes (313)
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Ellagic acids and derivatives (33)
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Pentacenequinones (16)
Acenaphthylenes (15)
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1-hydroxylamino 2-unsubstituted benzenoids (6)

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2,746 – 2,760 of 78,615 results
2,746

5-tert-Butyl-m-xylene, 98%

CAS: 98-19-1 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.276 MDL Number: MFCD00008832 InChI Key: FZSPYHREEHYLCB-UHFFFAOYSA-N Synonym: 5-tert-butyl-m-xylene,1-tert-butyl-3,5-dimethylbenzene,m-xylene, 5-tert-butyl,1,3-dimethyl-5-tert-butylbenzene,benzene, 1-1,1-dimethylethyl-3,5-dimethyl,5-tert-butyl-1,3-dimethylbenzene,benzene, 5-tert-butyl-1,3-dimethyl,1,3-dimethyl-5-t-butylbenzene,5-t-butyl-1,3-dimethylbenzene,benzene, 1,3-dimethyl-5-1,1-dimethylethyl PubChem CID: 7378 IUPAC Name: 1-tert-butyl-3,5-dimethylbenzene SMILES: CC1=CC(=CC(=C1)C(C)(C)C)C

PubChem CID 7378
CAS 98-19-1
Molecular Weight (g/mol) 162.276
MDL Number MFCD00008832
SMILES CC1=CC(=CC(=C1)C(C)(C)C)C
Synonym 5-tert-butyl-m-xylene,1-tert-butyl-3,5-dimethylbenzene,m-xylene, 5-tert-butyl,1,3-dimethyl-5-tert-butylbenzene,benzene, 1-1,1-dimethylethyl-3,5-dimethyl,5-tert-butyl-1,3-dimethylbenzene,benzene, 5-tert-butyl-1,3-dimethyl,1,3-dimethyl-5-t-butylbenzene,5-t-butyl-1,3-dimethylbenzene,benzene, 1,3-dimethyl-5-1,1-dimethylethyl
IUPAC Name 1-tert-butyl-3,5-dimethylbenzene
InChI Key FZSPYHREEHYLCB-UHFFFAOYSA-N
Molecular Formula C12H18
2,747

1-(4-Chlorophenyl)-1-methylethylamine, 97%

CAS: 17797-11-4 Molecular Formula: C9H12ClN Molecular Weight (g/mol): 169.65 MDL Number: MFCD08669636 InChI Key: JCUUNSQUTQELEZ-UHFFFAOYSA-N Synonym: 2-4-chlorophenyl propan-2-amine,1-4-chlorophenyl-1-methylethylamine,2-4-chlorophenyl prop-2-ylamine,4-chloro-alpha,alpha-dimethylbenzylamine,4-chlorocumylamine,alpha-amino-4-chlorocumene,2-4-chlorophenyl-2-propanamine,2-?4-chlorophenyl?propan-2-amine,benzenemethanamine,4-chloro-,a,,a-dimethyl,benzenemethanamine,4-chloro-a,a-dimethyl PubChem CID: 11030256 IUPAC Name: 2-(4-chlorophenyl)propan-2-amine SMILES: CC(C)(N)C1=CC=C(Cl)C=C1

PubChem CID 11030256
CAS 17797-11-4
Molecular Weight (g/mol) 169.65
MDL Number MFCD08669636
SMILES CC(C)(N)C1=CC=C(Cl)C=C1
Synonym 2-4-chlorophenyl propan-2-amine,1-4-chlorophenyl-1-methylethylamine,2-4-chlorophenyl prop-2-ylamine,4-chloro-alpha,alpha-dimethylbenzylamine,4-chlorocumylamine,alpha-amino-4-chlorocumene,2-4-chlorophenyl-2-propanamine,2-?4-chlorophenyl?propan-2-amine,benzenemethanamine,4-chloro-,a,,a-dimethyl,benzenemethanamine,4-chloro-a,a-dimethyl
IUPAC Name 2-(4-chlorophenyl)propan-2-amine
InChI Key JCUUNSQUTQELEZ-UHFFFAOYSA-N
Molecular Formula C9H12ClN
2,748

3,4-Dimethoxyphenylacetone, 97%

CAS: 776-99-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00008772 InChI Key: UMYZWICEDUEWIM-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenylacetone,1-3,4-dimethoxyphenyl propan-2-one,3,4-dimethoxyphenyl acetone,veratryl-2-propanone,1-3,4-dimethoxyphenyl-2-propanone,veratryl acetone,3,4-dimethoxybenzyl methyl ketone,1-3,4-dimethoxyphenyl acetone,2-propanone, 1-3,4-dimethoxyphenyl,veratryl methyl ketone PubChem CID: 69896 IUPAC Name: 1-(3,4-dimethoxyphenyl)propan-2-one SMILES: COC1=CC=C(CC(C)=O)C=C1OC

PubChem CID 69896
CAS 776-99-8
Molecular Weight (g/mol) 194.23
MDL Number MFCD00008772
SMILES COC1=CC=C(CC(C)=O)C=C1OC
Synonym 3,4-dimethoxyphenylacetone,1-3,4-dimethoxyphenyl propan-2-one,3,4-dimethoxyphenyl acetone,veratryl-2-propanone,1-3,4-dimethoxyphenyl-2-propanone,veratryl acetone,3,4-dimethoxybenzyl methyl ketone,1-3,4-dimethoxyphenyl acetone,2-propanone, 1-3,4-dimethoxyphenyl,veratryl methyl ketone
IUPAC Name 1-(3,4-dimethoxyphenyl)propan-2-one
InChI Key UMYZWICEDUEWIM-UHFFFAOYSA-N
Molecular Formula C11H14O3
2,749

5-tert-Butyl-2-iodo-1,3-dimethylbenzene, 97%

CAS: 5122-20-3 Molecular Formula: C12H17I Molecular Weight (g/mol): 288.17 MDL Number: MFCD00052173 InChI Key: SCKWYPTZVFBKKW-UHFFFAOYSA-N Synonym: 5-tert-butyl-2-iodo-1,3-dimethylbenzene,maybridge4_003980,acmc-20am7p,5-tert-butyl-2-iodo-m-xylene,4-tert-butyl-2,6-dimethyliodobenzene,5-tert-butyl-2-iodo-1,3-dimeth,5-tert-butyl-2-iodo-1,3-dimethyl-benzene,benzene,5-1,1-dimethylethyl-2-iodo-1,3-dimethyl PubChem CID: 2739988 IUPAC Name: 5-tert-butyl-2-iodo-1,3-dimethylbenzene SMILES: CC1=CC(=CC(C)=C1I)C(C)(C)C

PubChem CID 2739988
CAS 5122-20-3
Molecular Weight (g/mol) 288.17
MDL Number MFCD00052173
SMILES CC1=CC(=CC(C)=C1I)C(C)(C)C
Synonym 5-tert-butyl-2-iodo-1,3-dimethylbenzene,maybridge4_003980,acmc-20am7p,5-tert-butyl-2-iodo-m-xylene,4-tert-butyl-2,6-dimethyliodobenzene,5-tert-butyl-2-iodo-1,3-dimeth,5-tert-butyl-2-iodo-1,3-dimethyl-benzene,benzene,5-1,1-dimethylethyl-2-iodo-1,3-dimethyl
IUPAC Name 5-tert-butyl-2-iodo-1,3-dimethylbenzene
InChI Key SCKWYPTZVFBKKW-UHFFFAOYSA-N
Molecular Formula C12H17I
2,750

4-tert-Butylbenzaldehyde, 95%

CAS: 939-97-9 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.23 MDL Number: MFCD00035742 InChI Key: OTXINXDGSUFPNU-UHFFFAOYSA-N Synonym: 4-tert-butyl benzaldehyde,p-t-butylbenzaldehyde,p-tertbutyl benzaldehyde,benzaldehyde, 4-1,1-dimethylethyl,p-tert-butylbenzaldehyde,4-t-butylbenzaldehyde,4-tert-butyl-benzaldehyde,unii-qxf0qy8503,4-t-butyl benzaldehyde,benzaldehyde, p-tert-butyl PubChem CID: 70324 IUPAC Name: 4-tert-butylbenzaldehyde SMILES: CC(C)(C)C1=CC=C(C=O)C=C1

PubChem CID 70324
CAS 939-97-9
Molecular Weight (g/mol) 162.23
MDL Number MFCD00035742
SMILES CC(C)(C)C1=CC=C(C=O)C=C1
Synonym 4-tert-butyl benzaldehyde,p-t-butylbenzaldehyde,p-tertbutyl benzaldehyde,benzaldehyde, 4-1,1-dimethylethyl,p-tert-butylbenzaldehyde,4-t-butylbenzaldehyde,4-tert-butyl-benzaldehyde,unii-qxf0qy8503,4-t-butyl benzaldehyde,benzaldehyde, p-tert-butyl
IUPAC Name 4-tert-butylbenzaldehyde
InChI Key OTXINXDGSUFPNU-UHFFFAOYSA-N
Molecular Formula C11H14O
2,751

3-tert-Butylaniline, 97%

CAS: 5369-19-7 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.24 MDL Number: MFCD00125078 InChI Key: DPKTVUKEPNBABS-UHFFFAOYSA-N Synonym: 3-tert-butyl aniline,3-tert-butylbenzenamine,benzenamine, 3-1,1-dimethylethyl,3-t-butyl aniline,3-tert-butyl-phenylamine,3-tert-butyl phenylamine,3-tert-butylphenyl amine,m-t-butylaniline,3-t-butylaniline,m-tert-butylaniline PubChem CID: 79334 IUPAC Name: 3-tert-butylaniline SMILES: CC(C)(C)C1=CC=CC(N)=C1

PubChem CID 79334
CAS 5369-19-7
Molecular Weight (g/mol) 149.24
MDL Number MFCD00125078
SMILES CC(C)(C)C1=CC=CC(N)=C1
Synonym 3-tert-butyl aniline,3-tert-butylbenzenamine,benzenamine, 3-1,1-dimethylethyl,3-t-butyl aniline,3-tert-butyl-phenylamine,3-tert-butyl phenylamine,3-tert-butylphenyl amine,m-t-butylaniline,3-t-butylaniline,m-tert-butylaniline
IUPAC Name 3-tert-butylaniline
InChI Key DPKTVUKEPNBABS-UHFFFAOYSA-N
Molecular Formula C10H15N
2,752

4-tert-Butylbenzylamine, 98%

CAS: 39895-55-1 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.264 MDL Number: MFCD00040754 InChI Key: MPWSRGAWRAYBJK-UHFFFAOYSA-N Synonym: 4-tert-butylbenzylamine,4-tert-butylphenyl methanamine,4-t-butylbenzylamine,1-4-tert-butylphenyl methanamine,4-tert-butyl-benzylamine,4-tert-butyl phenyl methanamine,4-tert-butyl phenyl methylamine,4t-butylbenzylamine,p-t-butylbenzylamine,4-tertbutylbenzylamine PubChem CID: 2735655 IUPAC Name: (4-tert-butylphenyl)methanamine SMILES: CC(C)(C)C1=CC=C(C=C1)CN

PubChem CID 2735655
CAS 39895-55-1
Molecular Weight (g/mol) 163.264
MDL Number MFCD00040754
SMILES CC(C)(C)C1=CC=C(C=C1)CN
Synonym 4-tert-butylbenzylamine,4-tert-butylphenyl methanamine,4-t-butylbenzylamine,1-4-tert-butylphenyl methanamine,4-tert-butyl-benzylamine,4-tert-butyl phenyl methanamine,4-tert-butyl phenyl methylamine,4t-butylbenzylamine,p-t-butylbenzylamine,4-tertbutylbenzylamine
IUPAC Name (4-tert-butylphenyl)methanamine
InChI Key MPWSRGAWRAYBJK-UHFFFAOYSA-N
Molecular Formula C11H17N
2,753

4-tert-Butylbenzonitrile, 98+%

CAS: 4210-32-6 Molecular Formula: C11H13N Molecular Weight (g/mol): 159.232 MDL Number: MFCD00075840 InChI Key: IIZURLNRIMKEDL-UHFFFAOYSA-N Synonym: 4-tert-butyl benzonitrile,4-t-butylbenzonitrile,benzonitrile, 4-1,1-dimethylethyl,4-tert-butylcyanobenzene,4-tert-butyl-benzonitrile,p-t-butylbenzonitrile,acmc-209jnk,p-tert-butylbenzonitrile,benzonitrile, p-tert-butyl,ksc219k6d PubChem CID: 77883 IUPAC Name: 4-tert-butylbenzonitrile SMILES: CC(C)(C)C1=CC=C(C=C1)C#N

PubChem CID 77883
CAS 4210-32-6
Molecular Weight (g/mol) 159.232
MDL Number MFCD00075840
SMILES CC(C)(C)C1=CC=C(C=C1)C#N
Synonym 4-tert-butyl benzonitrile,4-t-butylbenzonitrile,benzonitrile, 4-1,1-dimethylethyl,4-tert-butylcyanobenzene,4-tert-butyl-benzonitrile,p-t-butylbenzonitrile,acmc-209jnk,p-tert-butylbenzonitrile,benzonitrile, p-tert-butyl,ksc219k6d
IUPAC Name 4-tert-butylbenzonitrile
InChI Key IIZURLNRIMKEDL-UHFFFAOYSA-N
Molecular Formula C11H13N
2,754

2-tert-Butyltoluene, 99%

CAS: 1074-92-6 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.249 MDL Number: MFCD00059209 InChI Key: AXHVNJGQOJFMHT-UHFFFAOYSA-N PubChem CID: 33712 IUPAC Name: 1-tert-butyl-2-methylbenzene SMILES: CC1=CC=CC=C1C(C)(C)C

PubChem CID 33712
CAS 1074-92-6
Molecular Weight (g/mol) 148.249
MDL Number MFCD00059209
SMILES CC1=CC=CC=C1C(C)(C)C
IUPAC Name 1-tert-butyl-2-methylbenzene
InChI Key AXHVNJGQOJFMHT-UHFFFAOYSA-N
Molecular Formula C11H16
2,755

4-chlorophenylacetone, 98%

CAS: 5586-88-9 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00045214 InChI Key: WEJRYKSUUFKMBC-UHFFFAOYSA-N Synonym: 4-chlorophenylacetone,1-4-chlorophenyl acetone,1-4-chlorophenyl propan-2-one,1-p-chlorophenyl acetone,1-4-chloro-phenyl-propan-2-one,p-chlorophenyl acetone,2-propanone, 1-4-chlorophenyl,p-chlorophenylacetone,4-chlorophenyl acetone PubChem CID: 79699 IUPAC Name: 1-(4-chlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(Cl)C=C1

PubChem CID 79699
CAS 5586-88-9
Molecular Weight (g/mol) 168.62
MDL Number MFCD00045214
SMILES CC(=O)CC1=CC=C(Cl)C=C1
Synonym 4-chlorophenylacetone,1-4-chlorophenyl acetone,1-4-chlorophenyl propan-2-one,1-p-chlorophenyl acetone,1-4-chloro-phenyl-propan-2-one,p-chlorophenyl acetone,2-propanone, 1-4-chlorophenyl,p-chlorophenylacetone,4-chlorophenyl acetone
IUPAC Name 1-(4-chlorophenyl)propan-2-one
InChI Key WEJRYKSUUFKMBC-UHFFFAOYSA-N
Molecular Formula C9H9ClO
2,756

3-Fluorophenylacetone, 98%, Thermo Scientific™

CAS: 1737-19-5 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.17 MDL Number: MFCD00061144 InChI Key: UWCPYXSRCQVABG-UHFFFAOYSA-N Synonym: 3-fluorophenylacetone,1-3-fluorophenyl propan-2-one,1-3-fluorophenyl acetone,acmc-1bqff,m-fluorophenyl-2-propanone,1-3-fluorophenyl acetone #,1-3-fluorophenyl-2-propanone PubChem CID: 137185 IUPAC Name: 1-(3-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC(=CC=C1)F

PubChem CID 137185
CAS 1737-19-5
Molecular Weight (g/mol) 152.17
MDL Number MFCD00061144
SMILES CC(=O)CC1=CC(=CC=C1)F
Synonym 3-fluorophenylacetone,1-3-fluorophenyl propan-2-one,1-3-fluorophenyl acetone,acmc-1bqff,m-fluorophenyl-2-propanone,1-3-fluorophenyl acetone #,1-3-fluorophenyl-2-propanone
IUPAC Name 1-(3-fluorophenyl)propan-2-one
InChI Key UWCPYXSRCQVABG-UHFFFAOYSA-N
Molecular Formula C9H9FO
2,757

1-(2-Fluorophenyl)-2-propylamine, 97%

CAS: 1716-60-5 Molecular Formula: C9H12FN Molecular Weight (g/mol): 153.20 MDL Number: MFCD01708100 InChI Key: GDSXNLDTQFFIEU-UHFFFAOYNA-N Synonym: 2-fluoroamphetamine,1-2-fluorophenyl propan-2-amine,o-fluoro-alpha-methylphenethylamine,phenethylamine, o-fluoro-alpha-methyl,1-2-fluorophenyl-2-propylamine,2-fa,o-fluoro-a-methylphenethylamine,benzeneethanamine,2-fluoro-a-methyl,1-2-fluorophenyl propan-2-aminehydrochloride PubChem CID: 121531 IUPAC Name: 1-(2-fluorophenyl)propan-2-amine SMILES: CC(N)CC1=CC=CC=C1F

PubChem CID 121531
CAS 1716-60-5
Molecular Weight (g/mol) 153.20
MDL Number MFCD01708100
SMILES CC(N)CC1=CC=CC=C1F
Synonym 2-fluoroamphetamine,1-2-fluorophenyl propan-2-amine,o-fluoro-alpha-methylphenethylamine,phenethylamine, o-fluoro-alpha-methyl,1-2-fluorophenyl-2-propylamine,2-fa,o-fluoro-a-methylphenethylamine,benzeneethanamine,2-fluoro-a-methyl,1-2-fluorophenyl propan-2-aminehydrochloride
IUPAC Name 1-(2-fluorophenyl)propan-2-amine
InChI Key GDSXNLDTQFFIEU-UHFFFAOYNA-N
Molecular Formula C9H12FN
2,758

tert-Pentylbenzene, 97%

CAS: 2049-95-8 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.249 MDL Number: MFCD00015187 InChI Key: QHTJSSMHBLGUHV-UHFFFAOYSA-N Synonym: tert-amylbenzene,tert-pentylbenzene,2-methyl-2-phenylbutane,1,1-dimethylpropyl benzene,benzene, 1,1-dimethylpropyl,benzene, tert-pentyl,2-phenyl-2-methylbutane,t-amylbenzene,2-methylbutan-2-yl benzene,tert-amyl benzene PubChem CID: 16295 IUPAC Name: 2-methylbutan-2-ylbenzene SMILES: CCC(C)(C)C1=CC=CC=C1

PubChem CID 16295
CAS 2049-95-8
Molecular Weight (g/mol) 148.249
MDL Number MFCD00015187
SMILES CCC(C)(C)C1=CC=CC=C1
Synonym tert-amylbenzene,tert-pentylbenzene,2-methyl-2-phenylbutane,1,1-dimethylpropyl benzene,benzene, 1,1-dimethylpropyl,benzene, tert-pentyl,2-phenyl-2-methylbutane,t-amylbenzene,2-methylbutan-2-yl benzene,tert-amyl benzene
IUPAC Name 2-methylbutan-2-ylbenzene
InChI Key QHTJSSMHBLGUHV-UHFFFAOYSA-N
Molecular Formula C11H16
2,759

(+/-)-2-Phenylbutyric acid, 98%, Thermo Scientific Chemicals

CAS: 90-27-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002667 InChI Key: OFJWFSNDPCAWDK-UHFFFAOYSA-N Synonym: 2-phenylbutyric acid,alpha-ethylphenylacetic acid,butyric acid, 2-phenyl,alpha-phenylbutyric acid,benzeneacetic acid, .alpha.-ethyl,alpha-phenyl butyric acid,2-phenylbutyricacid,benzeneacetic acid, alpha-ethyl,2-phenylburyric acid,alpha-toluic acid, alpha-ethyl PubChem CID: 7012 ChEBI: CHEBI:86545 IUPAC Name: 2-phenylbutanoic acid SMILES: CCC(C1=CC=CC=C1)C(=O)O

PubChem CID 7012
CAS 90-27-7
Molecular Weight (g/mol) 164.204
ChEBI CHEBI:86545
MDL Number MFCD00002667
SMILES CCC(C1=CC=CC=C1)C(=O)O
Synonym 2-phenylbutyric acid,alpha-ethylphenylacetic acid,butyric acid, 2-phenyl,alpha-phenylbutyric acid,benzeneacetic acid, .alpha.-ethyl,alpha-phenyl butyric acid,2-phenylbutyricacid,benzeneacetic acid, alpha-ethyl,2-phenylburyric acid,alpha-toluic acid, alpha-ethyl
IUPAC Name 2-phenylbutanoic acid
InChI Key OFJWFSNDPCAWDK-UHFFFAOYSA-N
Molecular Formula C10H12O2
2,760

1,3,5-Tri-tert-butylbenzene, 97+%

CAS: 1460-02-2 Molecular Formula: C18H30 Molecular Weight (g/mol): 246.438 MDL Number: MFCD00008831 InChI Key: GUFMBISUSZUUCB-UHFFFAOYSA-N Synonym: 1,3,5-tri-tert-butylbenzene,benzene, 1,3,5-tris 1,1-dimethylethyl,1,3,5-tri-t-butylbenzene,benzene, 1,3,5-tri-tert-butyl,1,3,5-tris tert-butyl benzene,pubchem13719,intermediates-zcf02115,acmc-209cw6,2,4,6-tri-tert-butylphenyl,ksc490m7l PubChem CID: 15089 IUPAC Name: 1,3,5-tritert-butylbenzene SMILES: CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

PubChem CID 15089
CAS 1460-02-2
Molecular Weight (g/mol) 246.438
MDL Number MFCD00008831
SMILES CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
Synonym 1,3,5-tri-tert-butylbenzene,benzene, 1,3,5-tris 1,1-dimethylethyl,1,3,5-tri-t-butylbenzene,benzene, 1,3,5-tri-tert-butyl,1,3,5-tris tert-butyl benzene,pubchem13719,intermediates-zcf02115,acmc-209cw6,2,4,6-tri-tert-butylphenyl,ksc490m7l
IUPAC Name 1,3,5-tritert-butylbenzene
InChI Key GUFMBISUSZUUCB-UHFFFAOYSA-N
Molecular Formula C18H30