CAS 28315-93-7|5-Hydroxy-1-tetralone|5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one|5-hydroxy-3,4-dihydro-2H-naphthalen-1-one|5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one|5-Hydroxy-1-tetralone|3,4-Dih...

General Information

Structure

Molecular Formula

C₁₀H₁₀O₂

Molecular Mass

162.1852

Exact Mass

162.06807956

Charge

InChI

InChI=1S/C10H10O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,11H,2,4,6H2

InChIKey

YPPZCRZRQHFRBH-UHFFFAOYSA-N

Canonic Smiles

O=C1CCCc2c1cccc2O

Isomeric Smiles

c1cc(c2c(c1)C(=O)CCC2)O

Calculated Properties

JChem

Acid pKa

8.7537775

H Acceptors

H Donor

LogD (pH = 5.5)

1.9773189

LogD (pH = 7.4)

1.9588675

Log P

1.9775593

Molar Refractivity

46.3076

Polarizability

17.61633

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

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

IUPAC name

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

Synonyms

5-Hydroxy-1-tetralone5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one5-Hydroxy-1-tetralone5-Hydroxy-α-tetralone1,2,3,4-Tetrahydro-1-oxo-5-hydroxynaphthalene3,4-Dihydro-5-hydroxy-1(2H)-naphthalenone5-Hydroxy-3,4-dihydro-2H-naphthalen-1-one5-Hydroxy-3,4-dihydro-1(2H)-naphthalenone5-羟基-1-四氢萘酮1,2,3,4-Tetrahydro-5-hydroxynaphthyl-1-one5-Hydroxy-1,2,3,4-tetrahydronaphthalen-1-one

Names and Identifiers

Registration numbers

CAS Number

Beilstein Number

EC Number

MDL Number

PubChem SID