CAS 2472-22-2|6-methoxy-1,2,3,4-tetrahydronaphthalen-2-one|6-Methoxy-3,4-dihydronaphthalen-2(1H)-one|6-methoxy-3,4-dihydro-1H-naphthalen-2-one|3,4-Dihydro-6-methoxynaphthalen-2(1H)-one|6-Methoxy-3,4...

General Information

Structure

Molecular Formula

C₁₁H₁₂O₂

Molecular Mass

176.21178

Exact Mass

176.08372962

Charge

InChI

InChI=1S/C11H12O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h3,5,7H,2,4,6H2,1H3

InChIKey

RMRKDYNVZWKAFP-UHFFFAOYSA-N

Canonic Smiles

COc1ccc2c(c1)CCC(=O)C2

Isomeric Smiles

c1c(cc2c(c1)CC(=O)CC2)OC

Calculated Properties

JChem

Acid pKa

15.414314

H Acceptors

H Donor

LogD (pH = 5.5)

2.0886111

LogD (pH = 7.4)

2.0886111

Log P

2.0886111

Molar Refractivity

50.6448

Polarizability

19.547794

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

6-methoxy-1,2,3,4-tetrahydronaphthalen-2-one

Synonyms

6-Methoxy-3,4-dihydronaphthalen-2(1H)-one3,4-Dihydro-6-methoxynaphthalen-2(1H)-one6-Methoxy-3,4-dihydro-2(1H)-naphthalenone6-Methoxy-2-tetralone6-甲氧基-3,4-二氢-2(1H)-萘酮6-甲氧基-2-四氢萘酮6-METHOXY-2-TETRALONE6-Methoxy-2-tetralone6-甲氧基-2-四氢萘酮

IUPAC Traditional name

6-methoxy-3,4-dihydro-1H-naphthalen-2-one

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

EC Number