CAS 74457-86-6|1-(2-fluoro-4-methoxyphenyl)ethanone|1-(2-fluoro-4-methoxyphenyl)ethan-1-one|2'-Fluoro-4'-methoxyacetophenone|2′-Fluoro-4′-methoxyacetophenone|2′-氟-4′-甲氧基苯乙酮|1-(2-fluoro-4-...

General Information

Structure

Molecular Formula

C₉H₉FO₂

Molecular Mass

168.1649632

Exact Mass

168.05865775

Charge

InChI

InChI=1S/C9H9FO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-5H,1-2H3

InChIKey

PIRRWUMTIBFCCW-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

c1c(cc(c(c1)C(=O)C)F)OC

Calculated Properties

JChem

Acid pKa

15.476736

H Acceptors

H Donor

LogD (pH = 5.5)

1.515924

LogD (pH = 7.4)

1.515924

Log P

1.515924

Molar Refractivity

43.1404

Polarizability

16.2805

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1-(2-fluoro-4-methoxyphenyl)ethan-1-one

IUPAC Traditional name

1-(2-fluoro-4-methoxyphenyl)ethanone

Synonyms

2'-Fluoro-4'-methoxyacetophenone2′-氟-4′-甲氧基苯乙酮2′-Fluoro-4′-methoxyacetophenone1-(2-fluoro-4-methoxyphenyl)ethanone2'-Fluoro-4'-methoxyacetophenone 98%4-Acetyl-3-fluoroanisole1-(2-Fluoro-4-methoxyphenyl)ethan-1-one2'-Fluoro-4'-methoxyacetophenone2'-氟-4'-甲氧基苯乙酮

Names and Identifiers

Registration numbers

MDL Number

CAS Number

Beilstein Number

PubChem SID

PubChem CID