CAS 1889-71-0|1-(4-Chlorophenyl)-2-phenylethan-1-one|Benzyl 4-chlorophenyl ketone|1-(4-chlorophenyl)-2-phenylethanone|4'-Chloro-2-phenylacetophenone|1-(4-chlorophenyl)-2-phenylethan-1-one|4'-Chloro-...

General Information

Structure

Molecular Formula

C₁₄H₁₁ClO

Molecular Mass

230.68954

Exact Mass

230.04984265

Charge

InChI

InChI=1S/C14H11ClO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2

InChIKey

DXVALSKCLLBZEB-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(cc1)C(=O)Cc1ccccc1

Isomeric Smiles

O=C(c1ccc(cc1)Cl)Cc1ccccc1

Calculated Properties

JChem

Acid pKa

15.411675

H Acceptors

H Donor

LogD (pH = 5.5)

3.9692779

LogD (pH = 7.4)

3.9692779

Log P

3.9692779

Molar Refractivity

65.9875

Polarizability

25.524038

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1-(4-Chlorophenyl)-2-phenylethan-1-oneBenzyl 4-chlorophenyl ketone4'-Chloro-2-phenylacetophenone4'-Chloro-2-phenylacetophenoneBenzyl 4-chlorophenyl ketone苄基 4-氯苯基甲酮4-Chlorodeoxybenzoin4-氯苯基苄基酮4′-氯-2-苯基苯乙酮4′-Chloro-2-phenylacetophenoneBenzyl 4-chlorophenyl ketone

IUPAC Traditional name

1-(4-chlorophenyl)-2-phenylethanone

IUPAC name

1-(4-chlorophenyl)-2-phenylethan-1-one

Names and Identifiers

Registration numbers

Beilstein Number

976443

MDL Number

MFCD00016342

CAS Number

1889-71-0