CAS 2491-38-5|2-bromo-1-(4-hydroxyphenyl)ethanone|4-Hydroxyphenacyl bromide|2-Bromo-1-(4-hydroxyphenyl)ethan-1-one|2-bromo-1-(4-hydroxyphenyl)ethan-1-one|2-Bromo-4'-hydroxyacetophenone|Busan 90|1-(4...

General Information

Structure

Molecular Formula

C₈H₇BrO₂

Molecular Mass

215.04398

Exact Mass

213.96294146

Charge

InChI

InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2

InChIKey

LJYOFQHKEWTQRH-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)c1ccc(cc1)O

Isomeric Smiles

BrCC(=O)c1ccc(cc1)O

Calculated Properties

JChem

Acid pKa

7.74239

H Acceptors

H Donor

LogD (pH = 5.5)

1.9477054

LogD (pH = 7.4)

1.7887425

Log P

1.9501671

Molar Refractivity

46.1784

Polarizability

17.463907

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2-bromo-1-(4-hydroxyphenyl)ethanone

Synonyms

4-Hydroxyphenacyl bromide2-Bromo-1-(4-hydroxyphenyl)ethan-1-one2-Bromo-4'-hydroxyacetophenoneBusan 901-(4-Hydroxyphenyl)-2-bromoethanone2-Bromo-4'-hydroxyacetophenone2-Bromo-1-(4-hydroxyphenyl)ethanoneα-Bromo-4'-hydroxyacetophenoneButrol 1130p-Hydroxyphenacyl BromideBusan 11302-BroMo-1-(4-hydroxyphenyl)ethanone

IUPAC name

2-bromo-1-(4-hydroxyphenyl)ethan-1-one

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

PubChem SID

MDL Number