CAS 4133-34-0|7-Methoxy-3,4-dihydronaphthalen-2-one|7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one|7-methoxy-3,4-dihydro-1H-naphthalen-2-one|7-甲氧基-2-萘满酮|7-methoxy-1,2,3,4-tetrahydronaphthalen-2-...

General Information

Structure

Molecular Formula

C₁₁H₁₂O₂

Molecular Mass

176.21178

Exact Mass

176.08372962

Charge

InChI

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

InChIKey

XEAPZXNZOJGVCZ-UHFFFAOYSA-N

Canonic Smiles

COc1ccc2c(c1)CC(=O)CC2

Isomeric Smiles

C1C(=O)CCc2ccc(cc12)OC

Calculated Properties

JChem

Acid pKa

15.153904

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

19.547798

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

7-Methoxy-3,4-dihydronaphthalen-2-one7-甲氧基-2-萘满酮7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one7-Methoxy-2-tetralone7-Methoxy-2-oxo-1,2,3,4-tetrahydronaphthalene3,4-Dihydro-7-methoxynaphthalen-2(1H)-one 97%7-Methoxy-2-tetralone7-甲氧基-2-四氢萘酮7-METHOXY-2-TETRALONE

IUPAC name

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

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

PubChem CID

77785

PubChem SID

16203316124850062

MDL Number

MFCD00001730