2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-1-one

C14H10ClNO2 — CID 5309283

IUPAC2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8,13,17H
InChIKeyKZWVXAZDZXPEBM-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.99
Rot. Bonds1

About 2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-1-one

2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-1-one (PubChem CID 5309283) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-1-one
PubChem CID5309283
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8,13,17H
InChIKeyKZWVXAZDZXPEBM-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-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 2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-1-one (CID 5309283) is 2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-1-one is O=C1c2ccccc2C(O)N1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-1-one?
The InChIKey is KZWVXAZDZXPEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8,13,17H.
What are the key properties of 2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-1-one?
2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-1-one has a molecular weight of 259.69 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 5309283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).