3-(1-phenylethyliminomethyl)benzene-1,2-diol

C15H15NO2 — CID 3111529

IUPAC3-(1-phenylethyliminomethyl)benzene-1,2-diol
SMILESCC(/N=C/c1cccc(O)c1O)c1ccccc1
InChIInChI=1S/C15H15NO2/c1-11(12-6-3-2-4-7-12)16-10-13-8-5-9-14(17)15(13)18/h2-11,17-18H,1H3/b16-10+
InChIKeyOMHHMEACXZKMLK-MHWRWJLKSA-N
MW241.29 g/mol
LogP3.28
Rot. Bonds3

About 3-(1-phenylethyliminomethyl)benzene-1,2-diol

3-(1-phenylethyliminomethyl)benzene-1,2-diol (PubChem CID 3111529) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(1-phenylethyliminomethyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(1-phenylethyliminomethyl)benzene-1,2-diol
PubChem CID3111529
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-(1-phenylethyliminomethyl)benzene-1,2-diol
SMILESCC(/N=C/c1cccc(O)c1O)c1ccccc1
InChIInChI=1S/C15H15NO2/c1-11(12-6-3-2-4-7-12)16-10-13-8-5-9-14(17)15(13)18/h2-11,17-18H,1H3/b16-10+
InChIKeyOMHHMEACXZKMLK-MHWRWJLKSA-N
XLogP3.28
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.28
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-(1-phenylethyliminomethyl)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-(1-phenylethyliminomethyl)benzene-1,2-diol?
The IUPAC name of 3-(1-phenylethyliminomethyl)benzene-1,2-diol (CID 3111529) is 3-(1-phenylethyliminomethyl)benzene-1,2-diol.
What is the SMILES notation for 3-(1-phenylethyliminomethyl)benzene-1,2-diol?
The canonical SMILES for 3-(1-phenylethyliminomethyl)benzene-1,2-diol is CC(/N=C/c1cccc(O)c1O)c1ccccc1.
What is the InChIKey of 3-(1-phenylethyliminomethyl)benzene-1,2-diol?
The InChIKey is OMHHMEACXZKMLK-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11(12-6-3-2-4-7-12)16-10-13-8-5-9-14(17)15(13)18/h2-11,17-18H,1H3/b16-10+.
What are the key properties of 3-(1-phenylethyliminomethyl)benzene-1,2-diol?
3-(1-phenylethyliminomethyl)benzene-1,2-diol has a molecular weight of 241.29 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethyliminomethyl)benzene-1,2-diol is sourced from PubChem (CID 3111529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).