CAS 24650-42-8|2,2-Dimethoxy-2-phenylacetophenone|2,2-dimethoxy-1,2-diphenylethanone|α,α-Dimethoxy-α-phenylacetophenone|Benzil α,α-dimethyl acetal|2,2-dimethoxy-1,2-diphenylethan-1-one|Benzil d...

General Information

Structure

Molecular Formula

C₁₆H₁₆O₃

Molecular Mass

256.29644

Exact Mass

256.10994437

Charge

InChI

InChI=1S/C16H16O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,1-2H3

InChIKey

KWVGIHKZDCUPEU-UHFFFAOYSA-N

Canonic Smiles

COC(C(=O)c1ccccc1)(c1ccccc1)OC

Isomeric Smiles

O=C(c1ccccc1)C(c1ccccc1)(OC)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.8988328

LogD (pH = 7.4)

3.8988328

Log P

3.8988328

Molar Refractivity

73.5657

Polarizability

28.711508

Polar Surface Area

35.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2,2-Dimethoxy-2-phenylacetophenoneα,α-Dimethoxy-α-phenylacetophenoneBenzil α,α-dimethyl acetalBenzil dimethyl ketal2,2-Dimethoxy-1,2-diphenylethanone2,2-二甲氧基-苯基苯乙酮苯偶酰α，α-二甲基乙缩醛α，α-二甲氧基-α-苯基苯乙酮2,2-Dimethoxy-2-phenylacetophenoneBDK (Benzildimethylketal)

IUPAC Traditional name

2,2-dimethoxy-1,2-diphenylethanone

IUPAC name

2,2-dimethoxy-1,2-diphenylethan-1-one

Names and Identifiers

Registration numbers

CAS Number

24650-42-8

MDL Number

MFCD00008475

EC Number

246-386-6