CAS 35081-45-9|1-[4-(benzyloxy)phenyl]-2-bromopropan-1-one|1-[4-(Benzyloxy)phenyl]-2-bromopropan-1-one|1-[4-(benzyloxy)phenyl]-2-bromopropan-1-one|1-(4-Benzyloxyphenyl)-2-bromopropan-1-one|p-Benzylo...

General Information

Structure

Molecular Formula

C₁₆H₁₅BrO₂

Molecular Mass

319.1931

Exact Mass

318.02554172

Charge

InChI

InChI=1S/C16H15BrO2/c1-12(17)16(18)14-7-9-15(10-8-14)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3

InChIKey

LSQLSCUJBXFBRB-UHFFFAOYSA-N

Canonic Smiles

CC(C(=O)c1ccc(cc1)OCc1ccccc1)Br

Isomeric Smiles

O(Cc1ccccc1)c1ccc(cc1)C(=O)C(C)Br

Calculated Properties

JChem

Acid pKa

16.098808

H Acceptors

H Donor

LogD (pH = 5.5)

4.3892984

LogD (pH = 7.4)

4.3892984

Log P

4.3892984

Molar Refractivity

79.7672

Polarizability

30.623287

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

1-[4-(Benzyloxy)phenyl]-2-bromopropan-1-oneNSC 3210484'-(Benzyloxy)-2-bromopropiophenone2-Bromo-1-(4-benzyloxyphenyl)-1-propanonep-Benzyloxy-α-bromopropiophenone1-(4-Benzyloxyphenyl)-2-bromopropan-1-one2-Bromo-1-[4-(phenylmethoxy)phenyl]-1-propanone1-(4-(benzyloxy)phenyl)-2-bromopropan-1-one α-bromo-α-methyl-4-benzyloxy-acetophenone

IUPAC name

1-[4-(benzyloxy)phenyl]-2-bromopropan-1-one

IUPAC Traditional name

1-[4-(benzyloxy)phenyl]-2-bromopropan-1-one

Names and Identifiers

Registration numbers

PubChem CID

100040

PubChem SID

162060960

CAS Number

35081-45-9