1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol

C15H14ClNO2 — CID 85437581

IUPAC1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol
SMILESON=C(CC(O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H14ClNO2/c16-13-8-6-12(7-9-13)15(18)10-14(17-19)11-4-2-1-3-5-11/h1-9,15,18-19H,10H2
InChIKeySSNZBIPHBCFECC-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.64
Rot. Bonds4

About 1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol

1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol (PubChem CID 85437581) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol
PubChem CID85437581
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol
SMILESON=C(CC(O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H14ClNO2/c16-13-8-6-12(7-9-13)15(18)10-14(17-19)11-4-2-1-3-5-11/h1-9,15,18-19H,10H2
InChIKeySSNZBIPHBCFECC-UHFFFAOYSA-N
XLogP3.64
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650
(3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide
CID 159122040
(NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine
CID 6283022
(NZ)-N-[(5Z)-5-hydroxyimino-1,3,5-triphenylpentylidene]hydroxylamine
CID 74229627
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
(5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol
CID 139841509
N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
(NZ)-N-(2-chloro-1-phenylethylidene)hydroxylamine
CID 139192653
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
2-(4-chlorophenyl)selanyl-1-phenylethanol
CID 134857500
(NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine
CID 45126946

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol (CID 85437581) is 1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol is ON=C(CC(O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol?
The InChIKey is SSNZBIPHBCFECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-13-8-6-12(7-9-13)15(18)10-14(17-19)11-4-2-1-3-5-11/h1-9,15,18-19H,10H2.
What are the key properties of 1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol?
1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol has a molecular weight of 275.74 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol is sourced from PubChem (CID 85437581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).