CAS 2892-29-7|1-(3-chloro-4-hydroxyphenyl)ethanone|3'-Chloro-4'-hydroxyacetophenone|1-(3-chloro-4-hydroxyphenyl)ethan-1-one|1-(3-Chloro-4-hydroxyphenyl)ethan-1-one|1-(3-Chloro-4-hydroxyphenyl)-1-eth...

General Information

Structure

Molecular Formula

C₈H₇ClO₂

Molecular Mass

170.59298

Exact Mass

170.01345714

Charge

InChI

InChI=1S/C8H7ClO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3

InChIKey

GMTSPBYBJKGPJF-UHFFFAOYSA-N

Canonic Smiles

CC(=O)c1ccc(c(c1)Cl)O

Isomeric Smiles

c1(cc(c(cc1)O)Cl)C(=O)C

Calculated Properties

JChem

Acid pKa

6.279359

H Acceptors

H Donor

LogD (pH = 5.5)

1.7651594

LogD (pH = 7.4)

0.72147846

Log P

1.8313727

Molar Refractivity

43.2465

Polarizability

16.584654

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-(3-chloro-4-hydroxyphenyl)ethanone

Synonyms

3'-Chloro-4'-hydroxyacetophenone1-(3-Chloro-4-hydroxyphenyl)ethan-1-one1-(3-Chloro-4-hydroxyphenyl)-1-ethanone1-(3-氯-4-羟基苯基)乙酮1-(3-Chloro-4-hydroxyphenyl)ethanone3′-Chloro-4′-hydroxyacetophenone3′-氯-4′-羟基苯乙酮1-(3-Chloro-4-hydroxyphenyl)-1-ethanone

IUPAC name

1-(3-chloro-4-hydroxyphenyl)ethan-1-one

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID