α- (4-Bromophenyl) -3-methylbenzenemethanol

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CAS Number

944537-06-8

MDL Number

MFCD11094790

Smiles

C (O) (c1cc (C) ccc1) c1ccc (Br) cc1

Chemical Information

(4-Bromophenyl)(m-tolyl)methanol

CAS Number	944537-06-8
PubChem CID	49960953
IUPAC Name	(4-bromophenyl)-(3-methylphenyl)methanol
Molecular Formula	C14H13BrO
Molecular Weight	277.16
XLogP	3.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	211

SMILES

CC1=CC(=CC=C1)C(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C14H13BrO/c1-10-3-2-4-12(9-10)14(16)11-5-7-13(15)8-6-11/h2-9,14,16H,1H3

InChIKey

UKLHVCVSCLGKJJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 944537-06-8

CID: 49960953

Formula: C14H13BrO

MW: 277.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.16
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	276.01498
Monoisotopic Mass	276.01498
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	211
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1100952-01	α- (4-Bromophenyl) -α-methyl-3-methylbenzenemethanol
OR1095185	α- (4-Bromophenyl) -2-methylbenzenemethanol
OR1080648-01	4-[ (4-Bromophenyl) methoxy]-α-methylbenzenemethanol
OR1083980	α- (3-Bromophenyl) -2-methylbenzenemethanol
OR1084840-01	4-Chloro-α-cyclopentyl-3-methylbenzenemethanol
OR1092996-01	3,4-Dichloro-α-ethyl-α-methylbenzenemethanol
PC1010399-01	α-Cyclopropyl-3-fluoro-4-methylbenzenemethanol
PC1009175	α-Ethyl-3-fluoro-4-methylbenzenemethanol
OR1081519	3,4-Dichloro-α-cyclopropyl-α-methylbenzenemethanol
OR1080830-01	α-Cyclohexyl-4-methoxy-3-methylbenzenemethanol

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