3-(naphthalen-1-yliminomethyl)benzene-1,2-diol

C17H13NO2 — CID 792072

IUPAC3-(naphthalen-1-yliminomethyl)benzene-1,2-diol
SMILESOc1cccc(/C=N/c2cccc3ccccc23)c1O
InChIInChI=1S/C17H13NO2/c19-16-10-4-7-13(17(16)20)11-18-15-9-3-6-12-5-1-2-8-14(12)15/h1-11,19-20H/b18-11+
InChIKeyHRPKSSCVMZGDAD-WOJGMQOQSA-N
MW263.30 g/mol
LogP4.00
Rot. Bonds2

About 3-(naphthalen-1-yliminomethyl)benzene-1,2-diol

3-(naphthalen-1-yliminomethyl)benzene-1,2-diol (PubChem CID 792072) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(naphthalen-1-yliminomethyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(naphthalen-1-yliminomethyl)benzene-1,2-diol
PubChem CID792072
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name3-(naphthalen-1-yliminomethyl)benzene-1,2-diol
SMILESOc1cccc(/C=N/c2cccc3ccccc23)c1O
InChIInChI=1S/C17H13NO2/c19-16-10-4-7-13(17(16)20)11-18-15-9-3-6-12-5-1-2-8-14(12)15/h1-11,19-20H/b18-11+
InChIKeyHRPKSSCVMZGDAD-WOJGMQOQSA-N
XLogP4.00
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(naphthalen-1-yliminomethyl)benzene-1,2-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 3-(naphthalen-1-yliminomethyl)benzene-1,2-diol?
The IUPAC name of 3-(naphthalen-1-yliminomethyl)benzene-1,2-diol (CID 792072) is 3-(naphthalen-1-yliminomethyl)benzene-1,2-diol.
What is the SMILES notation for 3-(naphthalen-1-yliminomethyl)benzene-1,2-diol?
The canonical SMILES for 3-(naphthalen-1-yliminomethyl)benzene-1,2-diol is Oc1cccc(/C=N/c2cccc3ccccc23)c1O.
What is the InChIKey of 3-(naphthalen-1-yliminomethyl)benzene-1,2-diol?
The InChIKey is HRPKSSCVMZGDAD-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H13NO2/c19-16-10-4-7-13(17(16)20)11-18-15-9-3-6-12-5-1-2-8-14(12)15/h1-11,19-20H/b18-11+.
What are the key properties of 3-(naphthalen-1-yliminomethyl)benzene-1,2-diol?
3-(naphthalen-1-yliminomethyl)benzene-1,2-diol has a molecular weight of 263.30 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-yliminomethyl)benzene-1,2-diol is sourced from PubChem (CID 792072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).