3-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-1-one

C15H12ClNO2 — CID 3608079

IUPAC3-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-1-one
SMILESCN1C(=O)c2ccccc2C1(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO2/c1-17-14(18)12-4-2-3-5-13(12)15(17,19)10-6-8-11(16)9-7-10/h2-9,19H,1H3
InChIKeyGISPIWSFCIRYRH-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.62
Rot. Bonds1

About 3-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-1-one

3-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-1-one (PubChem CID 3608079) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-1-one
PubChem CID3608079
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-1-one
SMILESCN1C(=O)c2ccccc2C1(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO2/c1-17-14(18)12-4-2-3-5-13(12)15(17,19)10-6-8-11(16)9-7-10/h2-9,19H,1H3
InChIKeyGISPIWSFCIRYRH-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-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-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-1-one?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-1-one (CID 3608079) is 3-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-1-one is CN1C(=O)c2ccccc2C1(O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-1-one?
The InChIKey is GISPIWSFCIRYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-17-14(18)12-4-2-3-5-13(12)15(17,19)10-6-8-11(16)9-7-10/h2-9,19H,1H3.
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-1-one?
3-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-1-one has a molecular weight of 273.72 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-hydroxy-2-methylisoindol-1-one is sourced from PubChem (CID 3608079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).