α- (4-Bromophenyl) -3-methoxybenzenemethanol

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CAS Number

134446-26-7

MDL Number

MFCD12723626

Smiles

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

Chemical Information

(4-Bromophenyl)(3-methoxyphenyl)methanol

CAS Number	134446-26-7
PubChem CID	18507125
IUPAC Name	(4-bromophenyl)-(3-methoxyphenyl)methanol
Molecular Formula	C14H13BrO2
Molecular Weight	293.15
XLogP	3.4
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	226

SMILES

COC1=CC=CC(=C1)C(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C14H13BrO2/c1-17-13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9,14,16H,1H3

InChIKey

RUJMKPWOXLACAZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 134446-26-7

CID: 18507125

Formula: C14H13BrO2

MW: 293.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.15
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	292.00989
Monoisotopic Mass	292.00989
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	226
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
OR1084073-01	3-Chloro-α-ethenyl-4-methoxybenzenemethanol
PC1012414	α-Ethyl-3-fluoro-4-methoxybenzenemethanol
PC1009456-01	α-Cyclopropyl-3-fluoro-4-methoxybenzenemethanol
OR1081175-01	3-Chloro-α-cyclopropyl-4-methoxybenzenemethanol
OR1088148-01	4-Bromo-α-cyclopropyl-3-methoxybenzenemethanol
OR1087519-01	4-Chloro-α-ethenyl-3-methoxybenzenemethanol
OR1084121-01	4-Chloro-α-cyclopropyl-3-methoxybenzenemethanol
OR1084421-01	4-Chloro-α-cyclohexyl-3-methoxybenzenemethanol
OR1084102-01	4-Chloro-α-ethyl-3-methoxybenzenemethanol
OR1088152-01	α-Cyclopropyl-3-ethoxy-4-methoxybenzenemethanol

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