3-hydroxy-2-(2-methylphenyl)-3H-isoindol-1-one

C15H13NO2 — CID 20854937

IUPAC3-hydroxy-2-(2-methylphenyl)-3H-isoindol-1-one
SMILESCc1ccccc1N1C(=O)c2ccccc2C1O
InChIInChI=1S/C15H13NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h2-9,14,17H,1H3
InChIKeyZYVXIADCOFAZAY-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.65
Rot. Bonds1

About 3-hydroxy-2-(2-methylphenyl)-3H-isoindol-1-one

3-hydroxy-2-(2-methylphenyl)-3H-isoindol-1-one (PubChem CID 20854937) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-hydroxy-2-(2-methylphenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-methylphenyl)-3H-isoindol-1-one
PubChem CID20854937
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-hydroxy-2-(2-methylphenyl)-3H-isoindol-1-one
SMILESCc1ccccc1N1C(=O)c2ccccc2C1O
InChIInChI=1S/C15H13NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h2-9,14,17H,1H3
InChIKeyZYVXIADCOFAZAY-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-2-(2-methylphenyl)-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 3-hydroxy-2-(2-methylphenyl)-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-2-(2-methylphenyl)-3H-isoindol-1-one (CID 20854937) is 3-hydroxy-2-(2-methylphenyl)-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-(2-methylphenyl)-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-2-(2-methylphenyl)-3H-isoindol-1-one is Cc1ccccc1N1C(=O)c2ccccc2C1O.
What is the InChIKey of 3-hydroxy-2-(2-methylphenyl)-3H-isoindol-1-one?
The InChIKey is ZYVXIADCOFAZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h2-9,14,17H,1H3.
What are the key properties of 3-hydroxy-2-(2-methylphenyl)-3H-isoindol-1-one?
3-hydroxy-2-(2-methylphenyl)-3H-isoindol-1-one has a molecular weight of 239.27 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-methylphenyl)-3H-isoindol-1-one is sourced from PubChem (CID 20854937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).