CAS 829-20-9|2',4'-Dimethoxyacetophenone|1-(2,4-dimethoxyphenyl)ethan-1-one|1-(2,4-dimethoxyphenyl)ethanone|4-Acetylresorcinol dimethyl ether|1-(2,4-Dimethoxyphenyl)ethan-1-one|2,4-二甲氧基乙酰苯|Re...

General Information

Structure

Molecular Formula

C₁₀H₁₂O₃

Molecular Mass

180.20048

Exact Mass

180.07864424

Charge

InChI

InChI=1S/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-6H,1-3H3

InChIKey

VQTDPCRSXHFMOL-UHFFFAOYSA-N

Canonic Smiles

COc1cc(OC)ccc1C(=O)C

Isomeric Smiles

C(=O)(C)c1c(cc(cc1)OC)OC

Calculated Properties

JChem

Acid pKa

15.812926

H Acceptors

H Donor

LogD (pH = 5.5)

1.2155508

LogD (pH = 7.4)

1.2155508

Log P

1.2155508

Molar Refractivity

49.3872

Polarizability

19.10362

Polar Surface Area

35.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2',4'-Dimethoxyacetophenone4-Acetylresorcinol dimethyl ether1-(2,4-Dimethoxyphenyl)ethan-1-one2,4-二甲氧基乙酰苯Resacetophenone dimethyl ether2′,4′-二甲氧基苯乙酮1-(2,4-dimethoxyphenyl)ethanone2',4'-Dimethoxyacetophenone2',4'-二甲氧基苯乙酮2′,4′-Dimethoxyacetophenone2,4-DIMETHOXYACETOPHENONE

IUPAC name

1-(2,4-dimethoxyphenyl)ethan-1-one

IUPAC Traditional name

1-(2,4-dimethoxyphenyl)ethanone

Names and Identifiers

Registration numbers

PubChem CID

70016

PubChem SID

1620571532489340124864034

CAS Number

829-20-9