CAS 32940-15-1|5-methoxy-1,2,3,4-tetrahydronaphthalen-2-one|5-methoxy-3,4-dihydro-1H-naphthalen-2-one|5-Methoxy-2-tetralone|5-甲氧基-2-萘满酮|5-Methoxy-2-tetralone|3,4-Dihydro-5-methoxy-2(1H)-naphth...

General Information

Structure

Molecular Formula

C₁₁H₁₂O₂

Molecular Mass

176.21178

Exact Mass

176.08372962

Charge

InChI

InChI=1S/C11H12O2/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4H,5-7H2,1H3

InChIKey

MDAIAXRTLTVEOU-UHFFFAOYSA-N

Canonic Smiles

COc1cccc2c1CCC(=O)C2

Isomeric Smiles

C1C(=O)CCc2c(cccc12)OC

Calculated Properties

JChem

Acid pKa

15.161045

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

19.547949

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

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

IUPAC Traditional name

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

Synonyms

5-Methoxy-2-tetralone5-甲氧基-2-萘满酮5-Methoxy-2-tetralone3,4-Dihydro-5-methoxy-2(1H)-naphthalenone5-Methoxy-β-tetraloneNSC 888802-Oxo-5-methoxy-1,2,3,4-tetrahydronaphthalene5-Methoxy-2-tetralone5-Methoxy-2-oxo-1,2,3,4-tetrahydronaphthalene5-Methoxy-3,4-dihydronaphthalen-2(1H)-one 97%

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

MDL Number

PubChem CID

Registration numbers

Properties