CAS 571-60-8|Naphthalene-1,4-diol|1,4-dihydroxynaphthalene|naphthalene-1,4-diol|1,4-DIHYDROXYNAPHTHALENE|p-Naphthohydroquinone (α)|1,4-二氧萘酚|1,4-Dihydroxynaphthalene|1,4-Naphthalenediol|1,4-二羟...

General Information

Structure

Molecular Formula

C₁₀H₈O₂

Molecular Mass

160.16932

Exact Mass

160.0524295

Charge

0

InChI

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

InChIKey

PCILLCXFKWDRMK-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc(c2c1cccc2)O

Isomeric Smiles

Oc1ccc(c2ccccc12)O

Calculated Properties

JChem

LogD (pH = 7.4)

2.35

LogD (pH = 5.5)

2.36

Log P

2.36

Rotatable Bonds

0

H Donor

2

H Acceptors

2

Lipinski's Rule of Five

true

Acid pKa

9.30

Polar Surface Area

40.46

Polarizability

16.35

Molar Refractivity

46.47

LOG S

-2.47

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Naphthalene-1,4-diol1,4-DIHYDROXYNAPHTHALENEp-Naphthohydroquinone (α)1,4-二氧萘酚1,4-Naphthalenediol1,4-Dihydroxynaphthalene对-萘并氢醌 (α)1,4-二羟基萘1,4-naphthalenediol1,4-Naphthohydroquinonenaphthalene-1,4-diol1,4-DihydroxynaphthaleneNaphthalene-1,4-diol

IUPAC Traditional name

1,4-dihydroxynaphthalene

IUPAC name

naphthalene-1,4-diol

Names and Identifiers

Registration numbers

EC Number

209-336-4

PubChem SID

2488608316207330824434809

Beilstein Number

1307689