CAS 711-79-5|1-(1-Hydroxy-naphthalen-2-yl)-ethanone|2-Acetyl-1-naphthol|2-ACETO-1-NAPHTHOL|1-Hydroxy-2-acetonaphthone|1-(1-hydroxynaphthalen-2-yl)ethanone|1-(1-hydroxynaphthalen-2-yl)ethan-1-one|2-乙...

General Information

Structure

Molecular Formula

C₁₂H₁₀O₂

Molecular Mass

186.2066

Exact Mass

186.06807956

Charge

InChI

InChI=1S/C12H10O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14H,1H3

InChIKey

JBGJVMVWYWUVOW-UHFFFAOYSA-N

Canonic Smiles

CC(=O)c1ccc2c(c1O)cccc2

Isomeric Smiles

c12c(ccc(c1O)C(=O)C)cccc2

Calculated Properties

JChem

Acid pKa

8.756962

H Acceptors

H Donor

LogD (pH = 5.5)

2.8665664

LogD (pH = 7.4)

2.8482683

Log P

2.8668048

Molar Refractivity

54.8919

Polarizability

22.21592

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1-(1-Hydroxy-naphthalen-2-yl)-ethanone2-Acetyl-1-naphthol2-ACETO-1-NAPHTHOL1-Hydroxy-2-acetonaphthone2-乙酰基-1-萘酚1-羟基-2-乙酰萘1′-Hydroxy-2′-acetonaphthone1-(1-hydroxynaphthalen-2-yl)ethanone2-Acetyl-1-hydroxynaphthalene2-Acetyl-1-naphthol1'-Hydroxy-2'-acetonaphthone

IUPAC Traditional name

1-(1-hydroxynaphthalen-2-yl)ethanone

IUPAC name

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

Names and Identifiers

Registration numbers

EC Number

211-918-8

PubChem SID

24852216160980182

CAS Number

711-79-5