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.

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3,961 – 3,975 of 159,106 results

3,961

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3-Methoxy-4-methylbenzoic acid, 99%

CAS: 7151-68-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002566 InChI Key: CEAVPXDEPGAVDA-UHFFFAOYSA-N Synonym: 4-methyl-m-anisic acid,3-methoxy-p-toluic acid,benzoic acid, 3-methoxy-4-methyl,3-methoxy-4-methyl-benzoic acid,3-methoxy-4-methyl benzoic acid,3-methoxy-p-toluic acid; 4-methyl-m-anisic acid,3-methoxy-4-methylbenzoicacid,pubchem2672,5-carboxy-2-methylanisole,acmc-209oj0 PubChem CID: 81579 IUPAC Name: 3-methoxy-4-methylbenzoic acid SMILES: COC1=CC(=CC=C1C)C(O)=O

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PubChem CID	81579
CAS	7151-68-0
Molecular Weight (g/mol)	166.18
MDL Number	MFCD00002566
SMILES	COC1=CC(=CC=C1C)C(O)=O
Synonym	4-methyl-m-anisic acid,3-methoxy-p-toluic acid,benzoic acid, 3-methoxy-4-methyl,3-methoxy-4-methyl-benzoic acid,3-methoxy-4-methyl benzoic acid,3-methoxy-p-toluic acid; 4-methyl-m-anisic acid,3-methoxy-4-methylbenzoicacid,pubchem2672,5-carboxy-2-methylanisole,acmc-209oj0
IUPAC Name	3-methoxy-4-methylbenzoic acid
InChI Key	CEAVPXDEPGAVDA-UHFFFAOYSA-N
Molecular Formula	C9H10O3

3,962

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Benzyltrimethylammonium dichloroiodate, 95%

CAS: 114971-52-7 Molecular Formula: C10H16Cl2IN Molecular Weight (g/mol): 348.049 MDL Number: MFCD00075259 InChI Key: PPDJNZTUDFPAHX-UHFFFAOYSA-N Synonym: benzyltrimethylammonium dichloroiodate,benzyltrimethylammonium dichloroiodide,btma-icl2,benzyl trimethylammonium dichloroiodate,benzyltrimethylazanium; dichloroiodanuide,pubchem21920,benzyltrimethylammoniumdichloroiodate PubChem CID: 2724680 SMILES: C[N+](C)(C)CC1=CC=CC=C1.Cl[I-]Cl

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Specifications

PubChem CID	2724680
CAS	114971-52-7
Molecular Weight (g/mol)	348.049
MDL Number	MFCD00075259
SMILES	C[N+](C)(C)CC1=CC=CC=C1.Cl[I-]Cl
Synonym	benzyltrimethylammonium dichloroiodate,benzyltrimethylammonium dichloroiodide,btma-icl2,benzyl trimethylammonium dichloroiodate,benzyltrimethylazanium; dichloroiodanuide,pubchem21920,benzyltrimethylammoniumdichloroiodate
InChI Key	PPDJNZTUDFPAHX-UHFFFAOYSA-N
Molecular Formula	C10H16Cl2IN

3,963

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Methyl 2-phenoxybenzoate, 99%

CAS: 21905-56-6 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD03093064 InChI Key: PUGYLBSXMKBSRP-UHFFFAOYSA-N PubChem CID: 607606 IUPAC Name: methyl 2-phenoxybenzoate SMILES: COC(=O)C1=CC=CC=C1OC1=CC=CC=C1

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Specifications

PubChem CID	607606
CAS	21905-56-6
Molecular Weight (g/mol)	228.25
MDL Number	MFCD03093064
SMILES	COC(=O)C1=CC=CC=C1OC1=CC=CC=C1
IUPAC Name	methyl 2-phenoxybenzoate
InChI Key	PUGYLBSXMKBSRP-UHFFFAOYSA-N
Molecular Formula	C14H12O3

3,964

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3-Phenoxyaniline, 98%

CAS: 3586-12-7 MDL Number: MFCD00041891

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Specifications

CAS	3586-12-7
MDL Number	MFCD00041891

3,965

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(R)-3-Boc-4-methyl-2,2-dioxo-1,2,3-oxathiazolidine, 97%, Thermo Scientific Chemicals

CAS: 1212136-00-9 Molecular Formula: C19H21NO7S Molecular Weight (g/mol): 407.437 MDL Number: MFCD09864994 InChI Key: RTHSATBSXDKZBN-QGZVFWFLSA-N Synonym: methyl r-3-bis 4-methoxyphenyl methyl-2,2-dioxo-1,2,3 oxathiazolidine-4-carboxylate,methyl 4r-3-bis 4-methoxyphenyl methyl-2,2-dioxo-1,2??,3-oxathiazolidine-4-carboxylate PubChem CID: 46172874 IUPAC Name: methyl (4R)-3-[bis(4-methoxyphenyl)methyl]-2,2-dioxooxathiazolidine-4-carboxylate SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N3C(COS3(=O)=O)C(=O)OC

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Specifications

PubChem CID	46172874
CAS	1212136-00-9
Molecular Weight (g/mol)	407.437
MDL Number	MFCD09864994
SMILES	COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N3C(COS3(=O)=O)C(=O)OC
Synonym	methyl r-3-bis 4-methoxyphenyl methyl-2,2-dioxo-1,2,3 oxathiazolidine-4-carboxylate,methyl 4r-3-bis 4-methoxyphenyl methyl-2,2-dioxo-1,2??,3-oxathiazolidine-4-carboxylate
IUPAC Name	methyl (4R)-3-[bis(4-methoxyphenyl)methyl]-2,2-dioxooxathiazolidine-4-carboxylate
InChI Key	RTHSATBSXDKZBN-QGZVFWFLSA-N
Molecular Formula	C19H21NO7S

3,966

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1,2,3,4-Tetrahydro-2-naphthylamine, 97%, Thermo Scientific Chemicals

CAS: 2954-50-9 Molecular Formula: C10H13N Molecular Weight (g/mol): 147.221 MDL Number: MFCD00045577 InChI Key: LCGFVWKNXLRFIF-UHFFFAOYSA-N Synonym: 1,2,3,4-tetrahydro-2-naphthylamine,2-aminotetralin,2-naphthalenamine, 1,2,3,4-tetrahydro,1,2,3,4-tetrahydro-2-naphthalenamine,1,2,3,4-tetrahydro-naphthalen-2-ylamine,chembl30294,2-1,2,3,4-tetrahydronaphthylamine,2-amino-1,2,3,4-tetrahydronaphthalene,2-amino-tetralin,tetralin-2-amine PubChem CID: 34677 IUPAC Name: 1,2,3,4-tetrahydronaphthalen-2-amine SMILES: C1CC2=CC=CC=C2CC1N

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Specifications

PubChem CID	34677
CAS	2954-50-9
Molecular Weight (g/mol)	147.221
MDL Number	MFCD00045577
SMILES	C1CC2=CC=CC=C2CC1N
Synonym	1,2,3,4-tetrahydro-2-naphthylamine,2-aminotetralin,2-naphthalenamine, 1,2,3,4-tetrahydro,1,2,3,4-tetrahydro-2-naphthalenamine,1,2,3,4-tetrahydro-naphthalen-2-ylamine,chembl30294,2-1,2,3,4-tetrahydronaphthylamine,2-amino-1,2,3,4-tetrahydronaphthalene,2-amino-tetralin,tetralin-2-amine
IUPAC Name	1,2,3,4-tetrahydronaphthalen-2-amine
InChI Key	LCGFVWKNXLRFIF-UHFFFAOYSA-N
Molecular Formula	C10H13N

3,967

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3-Phenoxyanisole, 97%

CAS: 1655-68-1 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.24 MDL Number: MFCD00455605 InChI Key: CBVXNDCIOLXDFD-UHFFFAOYSA-N PubChem CID: 74252 IUPAC Name: 1-methoxy-3-phenoxybenzene SMILES: COC1=CC=CC(OC2=CC=CC=C2)=C1

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Specifications

PubChem CID	74252
CAS	1655-68-1
Molecular Weight (g/mol)	200.24
MDL Number	MFCD00455605
SMILES	COC1=CC=CC(OC2=CC=CC=C2)=C1
IUPAC Name	1-methoxy-3-phenoxybenzene
InChI Key	CBVXNDCIOLXDFD-UHFFFAOYSA-N
Molecular Formula	C13H12O2

3,968

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2-(4-Chlorophenoxy)-6-fluorobenzaldehyde, 98%

CAS: 902836-82-2 Molecular Formula: C13H8ClFO2 Molecular Weight (g/mol): 250.653 MDL Number: MFCD08061024 InChI Key: JEPXYNGAXLVUMW-UHFFFAOYSA-N Synonym: 2-4-chlorophenoxy-6-fluorobenzaldehyde,2-4-chloro-phenoxy-6-fluoro-benzaldehyde,acmc-20aopr PubChem CID: 42553314 IUPAC Name: 2-(4-chlorophenoxy)-6-fluorobenzaldehyde SMILES: C1=CC(=C(C(=C1)F)C=O)OC2=CC=C(C=C2)Cl

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Specifications

PubChem CID	42553314
CAS	902836-82-2
Molecular Weight (g/mol)	250.653
MDL Number	MFCD08061024
SMILES	C1=CC(=C(C(=C1)F)C=O)OC2=CC=C(C=C2)Cl
Synonym	2-4-chlorophenoxy-6-fluorobenzaldehyde,2-4-chloro-phenoxy-6-fluoro-benzaldehyde,acmc-20aopr
IUPAC Name	2-(4-chlorophenoxy)-6-fluorobenzaldehyde
InChI Key	JEPXYNGAXLVUMW-UHFFFAOYSA-N
Molecular Formula	C13H8ClFO2

3,969

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Thermo Scientific Chemicals Fexofenadine hydrochloride

CAS: 153439-40-8 Molecular Formula: C32H40ClNO4 Molecular Weight (g/mol): 538.13 MDL Number: MFCD00865710 InChI Key: RRJFVPUCXDGFJB-UHFFFAOYNA-N IUPAC Name: hydrogen 2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid chloride SMILES: [H+].[Cl-].CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

CAS	153439-40-8
Molecular Weight (g/mol)	538.13
MDL Number	MFCD00865710
SMILES	[H+].[Cl-].CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name	hydrogen 2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid chloride
InChI Key	RRJFVPUCXDGFJB-UHFFFAOYNA-N
Molecular Formula	C32H40ClNO4

3,970

2-Bromo-1-(4-phenoxyphenyl)ethanone 95+%, Thermo Scientific™

CAS: 28179-33-1 Molecular Formula: C14H11BrO2 Molecular Weight (g/mol): 291.14 MDL Number: MFCD01419855 InChI Key: RAXTYMXDSNWNJS-UHFFFAOYSA-N Synonym: 2-bromo-1-4-phenoxyphenyl ethanone,2-bromo-1-4-phenoxyphenyl ethan-1-one,ethanone,2-bromo-1-4-phenoxyphenyl,4-phenoxyphenacyl bromide,2-bromo-4'-phenoxyacetophenone,4'-phenoxy-2-bromoacetophenone,alpha-bromo-4'-phenoxyacetophenone,ethanone, 2-bromo-1-4-phenoxyphenyl PubChem CID: 14797675 IUPAC Name: 2-bromo-1-(4-phenoxyphenyl)ethanone SMILES: BrCC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	14797675
CAS	28179-33-1
Molecular Weight (g/mol)	291.14
MDL Number	MFCD01419855
SMILES	BrCC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1
Synonym	2-bromo-1-4-phenoxyphenyl ethanone,2-bromo-1-4-phenoxyphenyl ethan-1-one,ethanone,2-bromo-1-4-phenoxyphenyl,4-phenoxyphenacyl bromide,2-bromo-4'-phenoxyacetophenone,4'-phenoxy-2-bromoacetophenone,alpha-bromo-4'-phenoxyacetophenone,ethanone, 2-bromo-1-4-phenoxyphenyl
IUPAC Name	2-bromo-1-(4-phenoxyphenyl)ethanone
InChI Key	RAXTYMXDSNWNJS-UHFFFAOYSA-N
Molecular Formula	C14H11BrO2

3,971

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4-Phenoxyphenyl isocyanate, 98%

CAS: 59377-19-4 Molecular Formula: C13H9NO2 Molecular Weight (g/mol): 211.22 MDL Number: MFCD00013876 InChI Key: PNBUGOFIKAHZRW-UHFFFAOYSA-N Synonym: 4-phenoxyphenyl isocyanate,4-phenoxyphenylisocyanate,1-isocyanato-4-phenoxy-benzene,benzene, 1-isocyanato-4-phenoxy,acmc-20ambk,pubchem17221,p-phenoxyphenylisocyanate,4-phenoxybenzenisocyanate,4-phenoxyphenyl-isocyanate,4-isocyanatodiphenyl ether PubChem CID: 2734896 IUPAC Name: 1-isocyanato-4-phenoxybenzene SMILES: O=C=NC1=CC=C(OC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	2734896
CAS	59377-19-4
Molecular Weight (g/mol)	211.22
MDL Number	MFCD00013876
SMILES	O=C=NC1=CC=C(OC2=CC=CC=C2)C=C1
Synonym	4-phenoxyphenyl isocyanate,4-phenoxyphenylisocyanate,1-isocyanato-4-phenoxy-benzene,benzene, 1-isocyanato-4-phenoxy,acmc-20ambk,pubchem17221,p-phenoxyphenylisocyanate,4-phenoxybenzenisocyanate,4-phenoxyphenyl-isocyanate,4-isocyanatodiphenyl ether
IUPAC Name	1-isocyanato-4-phenoxybenzene
InChI Key	PNBUGOFIKAHZRW-UHFFFAOYSA-N
Molecular Formula	C13H9NO2

3,972

1-(bromomethyl)-2-phenoxybenzene, 90%, Thermo Scientific™

CAS: 82657-72-5 Molecular Formula: C13H11BrO Molecular Weight (g/mol): 263.134 InChI Key: YQRIQBOWLXRKKG-UHFFFAOYSA-N Synonym: 1-bromomethyl-2-phenoxybenzene,2-phenoxybenzyl bromide,benzene, bromomethylphenoxy,acmc-20eqyy,2-bromomethylphenyl phenyl ether,1-bromomethyl-2-phenoxy-benzene,2-bromomethyl-1-phenoxybenzene,1-2-bromomethyl phenoxy benzene,1-bromomethyl-2-phenyloxy benzene,benzene, 1-bromomethyl-2-phenoxy PubChem CID: 22675469 IUPAC Name: 1-(bromomethyl)-2-phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2CBr

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Specifications

PubChem CID	22675469
CAS	82657-72-5
Molecular Weight (g/mol)	263.134
SMILES	C1=CC=C(C=C1)OC2=CC=CC=C2CBr
Synonym	1-bromomethyl-2-phenoxybenzene,2-phenoxybenzyl bromide,benzene, bromomethylphenoxy,acmc-20eqyy,2-bromomethylphenyl phenyl ether,1-bromomethyl-2-phenoxy-benzene,2-bromomethyl-1-phenoxybenzene,1-2-bromomethyl phenoxy benzene,1-bromomethyl-2-phenyloxy benzene,benzene, 1-bromomethyl-2-phenoxy
IUPAC Name	1-(bromomethyl)-2-phenoxybenzene
InChI Key	YQRIQBOWLXRKKG-UHFFFAOYSA-N
Molecular Formula	C13H11BrO

3,973

(4-Phenoxyphenyl)methylamine hydrochloride, 97%, Thermo Scientific™

CAS: 169944-04-1 Molecular Formula: C13H14ClNO Molecular Weight (g/mol): 235.711 InChI Key: VHCSCKHIGGFTHN-UHFFFAOYSA-N Synonym: 4-phenoxyphenyl methanamine hydrochloride,4-phenoxyphenyl methylamine hydrochloride,4-phenoxybenzylamine hydrochloride,benzenemethanamine, 4-phenoxy-, hydrochloride,1-4-phenoxyphenyl methanamine hydrochloride,4-phenoxyphenyl methylamine, chloride,1-4-phenoxyphenyl methanamine-hydrogen chloride 1/1 PubChem CID: 22293026 IUPAC Name: (4-phenoxyphenyl)methanamine;hydrochloride SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CN.Cl

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Specifications

PubChem CID	22293026
CAS	169944-04-1
Molecular Weight (g/mol)	235.711
SMILES	C1=CC=C(C=C1)OC2=CC=C(C=C2)CN.Cl
Synonym	4-phenoxyphenyl methanamine hydrochloride,4-phenoxyphenyl methylamine hydrochloride,4-phenoxybenzylamine hydrochloride,benzenemethanamine, 4-phenoxy-, hydrochloride,1-4-phenoxyphenyl methanamine hydrochloride,4-phenoxyphenyl methylamine, chloride,1-4-phenoxyphenyl methanamine-hydrogen chloride 1/1
IUPAC Name	(4-phenoxyphenyl)methanamine;hydrochloride
InChI Key	VHCSCKHIGGFTHN-UHFFFAOYSA-N
Molecular Formula	C13H14ClNO

3,974

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4-Fluorodiphenyl ether, 99%

CAS: 330-84-7 Molecular Formula: C12H9FO Molecular Weight (g/mol): 188.20 MDL Number: MFCD00055239 InChI Key: AODSTUBSNYVSSL-UHFFFAOYSA-N Synonym: 4-fluorodiphenyl ether,4-fluorophenyl phenyl ether,benzene, 1-fluoro-4-phenoxy,4-fluoro-1-phenoxybenzene,4-fluorodiphenylether,4-fluorophenoxybenzene,pubchem1899,4-fluoroduphenyl ether,4-fluorophenylphenylether,# PubChem CID: 67614 IUPAC Name: 1-fluoro-4-phenoxybenzene SMILES: FC1=CC=C(OC2=CC=CC=C2)C=C1

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PubChem CID	67614
CAS	330-84-7
Molecular Weight (g/mol)	188.20
MDL Number	MFCD00055239
SMILES	FC1=CC=C(OC2=CC=CC=C2)C=C1
Synonym	4-fluorodiphenyl ether,4-fluorophenyl phenyl ether,benzene, 1-fluoro-4-phenoxy,4-fluoro-1-phenoxybenzene,4-fluorodiphenylether,4-fluorophenoxybenzene,pubchem1899,4-fluoroduphenyl ether,4-fluorophenylphenylether,#
IUPAC Name	1-fluoro-4-phenoxybenzene
InChI Key	AODSTUBSNYVSSL-UHFFFAOYSA-N
Molecular Formula	C12H9FO

3,975

1-(2-Phenoxyphenyl)ethanone, 97%, Thermo Scientific™

CAS: 26388-13-6 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD08271961 InChI Key: KPBCVVSDGJBODL-UHFFFAOYSA-N Synonym: 1-2-phenoxyphenyl ethanone,2-acetyldiphenyl ether,1-acetyl-2-phenoxybenzene,ethanone, 1-2-phenoxyphenyl PubChem CID: 10703750 IUPAC Name: 1-(2-phenoxyphenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1OC1=CC=CC=C1

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Specifications

PubChem CID	10703750
CAS	26388-13-6
Molecular Weight (g/mol)	212.25
MDL Number	MFCD08271961
SMILES	CC(=O)C1=CC=CC=C1OC1=CC=CC=C1
Synonym	1-2-phenoxyphenyl ethanone,2-acetyldiphenyl ether,1-acetyl-2-phenoxybenzene,ethanone, 1-2-phenoxyphenyl
IUPAC Name	1-(2-phenoxyphenyl)ethanone
InChI Key	KPBCVVSDGJBODL-UHFFFAOYSA-N
Molecular Formula	C14H12O2

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