CAS 575-44-0|1,6-DIHYDROXY NAPHTHALENE|naphthalene-1,6-diol|1,6-dihydroxynaphthalene|1,6-Naphthalenediol|1,6-萘二酚|1,6-Dihydroxynaphthalene|1,6-二羟基萘|1,6-dihydroxy naphthalene|1,6-Dihydroxynapht...

General Information

Structure

Molecular Formula

C₁₀H₈O₂

Molecular Mass

160.16932

Exact Mass

160.0524295

Charge

InChI

InChI=1S/C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6,11-12H

InChIKey

FZZQNEVOYIYFPF-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc2c(c1)cccc2O

Isomeric Smiles

c12cc(ccc2c(O)ccc1)O

Calculated Properties

JChem

LogD (pH = 7.4)

2.35

LogD (pH = 5.5)

2.36

Log P

2.36

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

9.44

Polar Surface Area

40.46

Polarizability

16.46

Molar Refractivity

46.47

LOG S

-2.47

Data Source

Names and Identifiers

Synonyms

1,6-DIHYDROXY NAPHTHALENE1,6-Naphthalenediol1,6-萘二酚1,6-Dihydroxynaphthalene1,6-二羟基萘1,6-Dihydroxynaphthalenenaphthalene-1,6-diol1,6-DIHYDROXY NAPHTHALENE2,5-dihydroxynaphthalene2,5-naphthalenediol1,6-dihydroxynaphthalene6-hydroxy-1-naphthol1,6-naphthalenediol

IUPAC name

naphthalene-1,6-diol

IUPAC Traditional name

1,6-dihydroxynaphthalene 1,6-dihydroxy naphthalene

Names and Identifiers

Registration numbers

EC Number

209-386-7

CAS Number

575-44-0

MDL Number

MFCD00003981