1H-naphthalene-2,2-diol

C10H10O2 — CID 22565012

IUPAC1H-naphthalene-2,2-diol
SMILESOC1(O)C=Cc2ccccc2C1
InChIInChI=1S/C10H10O2/c11-10(12)6-5-8-3-1-2-4-9(8)7-10/h1-6,11-12H,7H2
InChIKeyJXVVASBGLGTWLD-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.94
Rot. Bonds

About 1H-naphthalene-2,2-diol

1H-naphthalene-2,2-diol (PubChem CID 22565012) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1H-naphthalene-2,2-diol.

Molecular Properties

Compound Name1H-naphthalene-2,2-diol
PubChem CID22565012
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name1H-naphthalene-2,2-diol
SMILESOC1(O)C=Cc2ccccc2C1
InChIInChI=1S/C10H10O2/c11-10(12)6-5-8-3-1-2-4-9(8)7-10/h1-6,11-12H,7H2
InChIKeyJXVVASBGLGTWLD-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1H-naphthalene-2,2-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-naphthalene-2,2-diol?
The IUPAC name of 1H-naphthalene-2,2-diol (CID 22565012) is 1H-naphthalene-2,2-diol.
What is the SMILES notation for 1H-naphthalene-2,2-diol?
The canonical SMILES for 1H-naphthalene-2,2-diol is OC1(O)C=Cc2ccccc2C1.
What is the InChIKey of 1H-naphthalene-2,2-diol?
The InChIKey is JXVVASBGLGTWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-10(12)6-5-8-3-1-2-4-9(8)7-10/h1-6,11-12H,7H2.
What are the key properties of 1H-naphthalene-2,2-diol?
1H-naphthalene-2,2-diol has a molecular weight of 162.19 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-naphthalene-2,2-diol is sourced from PubChem (CID 22565012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).