1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one

C15H12ClNO2 — CID 3564747

IUPAC1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one
SMILESO=C(C/C=N/c1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO2/c16-12-3-1-11(2-4-12)15(19)9-10-17-13-5-7-14(18)8-6-13/h1-8,10,18H,9H2/b17-10+
InChIKeyGVTHAMPEQUZYEH-LICLKQGHSA-N
MW273.72 g/mol
LogP4.02
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one

1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one (PubChem CID 3564747) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one
PubChem CID3564747
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one
SMILESO=C(C/C=N/c1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO2/c16-12-3-1-11(2-4-12)15(19)9-10-17-13-5-7-14(18)8-6-13/h1-8,10,18H,9H2/b17-10+
InChIKeyGVTHAMPEQUZYEH-LICLKQGHSA-N
XLogP4.02
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-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 1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one (CID 3564747) is 1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one is O=C(C/C=N/c1ccc(O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one?
The InChIKey is GVTHAMPEQUZYEH-LICLKQGHSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-12-3-1-11(2-4-12)15(19)9-10-17-13-5-7-14(18)8-6-13/h1-8,10,18H,9H2/b17-10+.
What are the key properties of 1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one?
1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one has a molecular weight of 273.72 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one is sourced from PubChem (CID 3564747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).