naphthalene-1,5-diol

C10H8O2 — CID 6749

IUPACnaphthalene-1,5-diol
SMILESOc1cccc2c(O)cccc12
InChIInChI=1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H
InChIKeyBOKGTLAJQHTOKE-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.25
Rot. Bonds

About naphthalene-1,5-diol

naphthalene-1,5-diol (PubChem CID 6749) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is naphthalene-1,5-diol.

Molecular Properties

Compound Namenaphthalene-1,5-diol
PubChem CID6749
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Namenaphthalene-1,5-diol
SMILESOc1cccc2c(O)cccc12
InChIInChI=1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H
InChIKeyBOKGTLAJQHTOKE-UHFFFAOYSA-N
XLogP2.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze naphthalene-1,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Naphthol
CID 8663
Tert-Butylhydroquinone
CID 16043
1-Naphthol
CID 7005
(1,1'-Biphenyl)-2-ol
CID 7017
Magnolol
CID 72300
4,4'-Dihydroxybiphenyl
CID 7112
2,3-Dimethylphenol
CID 10687
9-Phenanthrol
CID 10229
1-Hydroxypyrene
CID 21387
1,4-Naphthalenediol
CID 11305
2,3-Dihydroxynaphthalene
CID 7091
Phenylhydroquinone
CID 14116

Frequently Asked Questions

What is the IUPAC name of naphthalene-1,5-diol?
The IUPAC name of naphthalene-1,5-diol (CID 6749) is naphthalene-1,5-diol.
What is the SMILES notation for naphthalene-1,5-diol?
The canonical SMILES for naphthalene-1,5-diol is Oc1cccc2c(O)cccc12.
What is the InChIKey of naphthalene-1,5-diol?
The InChIKey is BOKGTLAJQHTOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H.
What are the key properties of naphthalene-1,5-diol?
naphthalene-1,5-diol has a molecular weight of 160.17 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,5-diol is sourced from PubChem (CID 6749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).