3-(benzenecarboximidoyl)phenol

C13H11NO — CID 71379432

IUPAC3-(benzenecarboximidoyl)phenol
SMILES[H]/N=C(\c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C13H11NO/c14-13(10-5-2-1-3-6-10)11-7-4-8-12(15)9-11/h1-9,14-15H/b14-13+
InChIKeyMTBSWWFUPDLQGN-BUHFOSPRSA-N
MW197.24 g/mol
LogP2.81
Rot. Bonds2

About 3-(benzenecarboximidoyl)phenol

3-(benzenecarboximidoyl)phenol (PubChem CID 71379432) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(benzenecarboximidoyl)phenol.

Molecular Properties

Compound Name3-(benzenecarboximidoyl)phenol
PubChem CID71379432
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name3-(benzenecarboximidoyl)phenol
SMILES[H]/N=C(\c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C13H11NO/c14-13(10-5-2-1-3-6-10)11-7-4-8-12(15)9-11/h1-9,14-15H/b14-13+
InChIKeyMTBSWWFUPDLQGN-BUHFOSPRSA-N
XLogP2.81
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(benzenecarboximidoyl)phenol 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-(benzenecarboximidoyl)phenol?
The IUPAC name of 3-(benzenecarboximidoyl)phenol (CID 71379432) is 3-(benzenecarboximidoyl)phenol.
What is the SMILES notation for 3-(benzenecarboximidoyl)phenol?
The canonical SMILES for 3-(benzenecarboximidoyl)phenol is [H]/N=C(\c1ccccc1)c1cccc(O)c1.
What is the InChIKey of 3-(benzenecarboximidoyl)phenol?
The InChIKey is MTBSWWFUPDLQGN-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H11NO/c14-13(10-5-2-1-3-6-10)11-7-4-8-12(15)9-11/h1-9,14-15H/b14-13+.
What are the key properties of 3-(benzenecarboximidoyl)phenol?
3-(benzenecarboximidoyl)phenol has a molecular weight of 197.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenecarboximidoyl)phenol is sourced from PubChem (CID 71379432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).