CAS 3900-45-6|2-Acetyl-6-methoxynaphthalene|1-(6-methoxynaphthalen-2-yl)ethan-1-one|1-(6-methoxynaphthalen-2-yl)ethanone|1-(6-Methoxynaphth-2-yl)ethan-1-one|1-(6-methoxy-2-naphthyl)ethan-1-one|2-Ace...

General Information

Structure

Molecular Formula

C₁₃H₁₂O₂

Molecular Mass

200.23318

Exact Mass

200.08372962

Charge

InChI

InChI=1S/C13H12O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8H,1-2H3

InChIKey

GGWCZBGAIGGTDA-UHFFFAOYSA-N

Canonic Smiles

COc1ccc2c(c1)ccc(c2)C(=O)C

Isomeric Smiles

c1c(ccc2cc(ccc12)OC)C(=O)C

Calculated Properties

JChem

Acid pKa

16.026457

H Acceptors

H Donor

LogD (pH = 5.5)

2.3626988

LogD (pH = 7.4)

2.3626988

Log P

2.3626988

Molar Refractivity

59.3742

Polarizability

24.132519

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Acetyl-6-methoxynaphthalene1-(6-Methoxynaphth-2-yl)ethan-1-one1-(6-methoxy-2-naphthyl)ethan-1-one2-Acetyl-6-methoxynaphthalene6′-Methoxy-2′-acetonaphthoneNSC 1055641-(6-Methoxy-2-naphthalenyl)ethanone6′-甲氧基-2′-萘乙酮6'-Methoxy-2'-acetonaphthone (Naproxen Impurity L)6-Methoxy-2-acetylnaphthalene6-Acetyl-2-methoxynaphthalene6-Methoxy-2-naphthyl Methyl KetoneNaproxen Impurity L6-Methoxy-2'-acetonaphthone2-乙酰基-6-甲氧基萘2-Acetyl-6-methoxynaphthalene

IUPAC name

1-(6-methoxynaphthalen-2-yl)ethan-1-one

IUPAC Traditional name

1-(6-methoxynaphthalen-2-yl)ethanone

Names and Identifiers

Registration numbers

PubChem SID

16203449324864781

PubChem CID

77506

CAS Number

3900-45-6