3-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-1-one

C22H19NO2 — CID 136654790

IUPAC3-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-1-one
SMILESO=C(C/C(=N\Cc1ccccc1)c1ccccc1O)c1ccccc1
InChIInChI=1S/C22H19NO2/c24-21-14-8-7-13-19(21)20(23-16-17-9-3-1-4-10-17)15-22(25)18-11-5-2-6-12-18/h1-14,24H,15-16H2/b23-20+
InChIKeyGMXKEGMAZSCWMG-BSYVCWPDSA-N
MW329.40 g/mol
LogP4.65
Rot. Bonds6

About 3-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-1-one

3-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-1-one (PubChem CID 136654790) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-1-one
PubChem CID136654790
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name3-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-1-one
SMILESO=C(C/C(=N\Cc1ccccc1)c1ccccc1O)c1ccccc1
InChIInChI=1S/C22H19NO2/c24-21-14-8-7-13-19(21)20(23-16-17-9-3-1-4-10-17)15-22(25)18-11-5-2-6-12-18/h1-14,24H,15-16H2/b23-20+
InChIKeyGMXKEGMAZSCWMG-BSYVCWPDSA-N
XLogP4.65
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-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-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-1-one?
The IUPAC name of 3-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-1-one (CID 136654790) is 3-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-1-one is O=C(C/C(=N\Cc1ccccc1)c1ccccc1O)c1ccccc1.
What is the InChIKey of 3-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-1-one?
The InChIKey is GMXKEGMAZSCWMG-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H19NO2/c24-21-14-8-7-13-19(21)20(23-16-17-9-3-1-4-10-17)15-22(25)18-11-5-2-6-12-18/h1-14,24H,15-16H2/b23-20+.
What are the key properties of 3-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-1-one?
3-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-1-one has a molecular weight of 329.40 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylimino-3-(2-hydroxyphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 136654790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).