CAS 705-15-7|1-(2-hydroxy-5-methoxyphenyl)ethanone|1-(2-Hydroxy-5-methoxyphenyl)ethan-1-one|1-(2-hydroxy-5-methoxyphenyl)ethan-1-one|2'-Hydroxy-5'-methoxyacetophenone|1-(2-hydroxy-5-methoxyphenyl)et...

General Information

Structure

Molecular Formula

C₉H₁₀O₃

Molecular Mass

166.1739

Exact Mass

166.06299418

Charge

InChI

InChI=1S/C9H10O3/c1-6(10)8-5-7(12-2)3-4-9(8)11/h3-5,11H,1-2H3

InChIKey

MLIBGOFSXXWRIY-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

9.563148

H Acceptors

H Donor

LogD (pH = 5.5)

1.7196194

LogD (pH = 7.4)

1.7167041

Log P

1.7196567

Molar Refractivity

44.9049

Polarizability

17.196623

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-(2-hydroxy-5-methoxyphenyl)ethanone

Synonyms

1-(2-Hydroxy-5-methoxyphenyl)ethan-1-one2'-Hydroxy-5'-methoxyacetophenone1-(2-hydroxy-5-methoxyphenyl)ethan-1-one1-(2-hydroxy-5-methoxyphenyl)ethanone2'-Hydroxy-5'-methoxyacetophenone2′-羟基-5′-甲氧基苯乙酮2'-羟基-5'-甲氧基苯乙酮2′-Hydroxy-5′-methoxyacetophenone

IUPAC name

1-(2-hydroxy-5-methoxyphenyl)ethan-1-one

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

Beilstein Number