3-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one

C19H17NO2 — CID 135402327

IUPAC3-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one
SMILESO=C1CC(c2ccccc2)CC(O)=C1/C=N/c1ccccc1
InChIInChI=1S/C19H17NO2/c21-18-11-15(14-7-3-1-4-8-14)12-19(22)17(18)13-20-16-9-5-2-6-10-16/h1-10,13,15,21H,11-12H2/b20-13+
InChIKeyGPEOWBKLQZJVSM-DEDYPNTBSA-N
MW291.35 g/mol
LogP4.35
Rot. Bonds3

About 3-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one

3-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one (PubChem CID 135402327) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one
PubChem CID135402327
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name3-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one
SMILESO=C1CC(c2ccccc2)CC(O)=C1/C=N/c1ccccc1
InChIInChI=1S/C19H17NO2/c21-18-11-15(14-7-3-1-4-8-14)12-19(22)17(18)13-20-16-9-5-2-6-10-16/h1-10,13,15,21H,11-12H2/b20-13+
InChIKeyGPEOWBKLQZJVSM-DEDYPNTBSA-N
XLogP4.35
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one 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-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one (CID 135402327) is 3-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one is O=C1CC(c2ccccc2)CC(O)=C1/C=N/c1ccccc1.
What is the InChIKey of 3-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one?
The InChIKey is GPEOWBKLQZJVSM-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H17NO2/c21-18-11-15(14-7-3-1-4-8-14)12-19(22)17(18)13-20-16-9-5-2-6-10-16/h1-10,13,15,21H,11-12H2/b20-13+.
What are the key properties of 3-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one?
3-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one has a molecular weight of 291.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-phenyl-2-(phenyliminomethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 135402327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).