CAS 1201-38-3|2',5'-Dimethoxyacetophenone|1-(2,5-dimethoxyphenyl)ethanone|1-(2,5-dimethoxyphenyl)ethan-1-one|2′,5′-二甲氧基苯乙酮|2′,5′-Dimethoxyacetophenone|2-ACETYL-1,4-DIMETHOXYBENZENE|2',5'-...

General Information

Structure

Molecular Formula

C₁₀H₁₂O₃

Molecular Mass

180.20048

Exact Mass

180.07864424

Charge

InChI

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

InChIKey

FAXUIYJKGGUCBO-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(c(c1)C(=O)C)OC

Isomeric Smiles

C(=O)(C)c1c(ccc(c1)OC)OC

Calculated Properties

JChem

Acid pKa

15.465564

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

19.10334

Polar Surface Area

35.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2',5'-Dimethoxyacetophenone2′,5′-二甲氧基苯乙酮2′,5′-Dimethoxyacetophenone2-ACETYL-1,4-DIMETHOXYBENZENE2',5'-Dimethoxyacetophenone2',5'-二甲氧基苯乙酮2',5'-Dimethoxyacetophenone 99+%1-(2,5-Dimethoxyphenyl)ethan-1-one1-(2,5-Dimethoxyphenyl)ethanone

IUPAC Traditional name

1-(2,5-dimethoxyphenyl)ethanone

IUPAC name

1-(2,5-dimethoxyphenyl)ethan-1-one

Names and Identifiers

Registration numbers

EC Number

214-858-0

CAS Number

1201-38-3

MDL Number

MFCD00008728