CAS 1646-26-0|ethanone, 1-(2-benzofuranyl)-|1-(Benzofuran-2-yl)ethan-1-one|2-Acetylbenzo[b]furan|1-(1-benzofuran-2-yl)ethan-1-one|1-(benzofuran-2-yl)ethanone|2-Benzofuranyl methyl ketone|1-(2-苯并呋...

General Information

Structure

Molecular Formula

C₁₀H₈O₂

Molecular Mass

160.16932

Exact Mass

160.0524295

Charge

InChI

InChI=1S/C10H8O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3

InChIKey

YUTFQTAITWWGFH-UHFFFAOYSA-N

Canonic Smiles

CC(=O)c1cc2c(o1)cccc2

Isomeric Smiles

o1c(cc2ccccc12)C(=O)C

Calculated Properties

JChem

Acid pKa

14.242153

H Acceptors

H Donor

LogD (pH = 5.5)

1.6100179

LogD (pH = 7.4)

1.6100178

Log P

1.6100179

Molar Refractivity

45.1794

Polarizability

18.46289

Polar Surface Area

30.21

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

ethanone, 1-(2-benzofuranyl)-

Synonyms

1-(Benzofuran-2-yl)ethan-1-one2-Acetylbenzo[b]furan1-(benzofuran-2-yl)ethanone2-Benzofuranyl methyl ketone1-(2-苯并呋喃基)乙酮2-Acetylbenzofuran2-乙酰基苯并呋喃2-乙酰基苯并[b]呋喃Benzofuran-2-yl methyl ketone2-Acetylbenzo[b]furan

IUPAC name

1-(1-benzofuran-2-yl)ethan-1-one

Names and Identifiers

Registration numbers

Beilstein Number

CAS Number

MDL Number

EC Number