2-(4-methylphenyl)-3H-isoindol-1-one

C15H13NO — CID 2836108

IUPAC2-(4-methylphenyl)-3H-isoindol-1-one
SMILESCc1ccc(N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C15H13NO/c1-11-6-8-13(9-7-11)16-10-12-4-2-3-5-14(12)15(16)17/h2-9H,10H2,1H3
InChIKeyWLFCMWZKAJJZMR-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.16
Rot. Bonds1

About 2-(4-methylphenyl)-3H-isoindol-1-one

2-(4-methylphenyl)-3H-isoindol-1-one (PubChem CID 2836108) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3H-isoindol-1-one
PubChem CID2836108
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name2-(4-methylphenyl)-3H-isoindol-1-one
SMILESCc1ccc(N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C15H13NO/c1-11-6-8-13(9-7-11)16-10-12-4-2-3-5-14(12)15(16)17/h2-9H,10H2,1H3
InChIKeyWLFCMWZKAJJZMR-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-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 2-(4-methylphenyl)-3H-isoindol-1-one?
The IUPAC name of 2-(4-methylphenyl)-3H-isoindol-1-one (CID 2836108) is 2-(4-methylphenyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(4-methylphenyl)-3H-isoindol-1-one?
The canonical SMILES for 2-(4-methylphenyl)-3H-isoindol-1-one is Cc1ccc(N2Cc3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3H-isoindol-1-one?
The InChIKey is WLFCMWZKAJJZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-11-6-8-13(9-7-11)16-10-12-4-2-3-5-14(12)15(16)17/h2-9H,10H2,1H3.
What are the key properties of 2-(4-methylphenyl)-3H-isoindol-1-one?
2-(4-methylphenyl)-3H-isoindol-1-one has a molecular weight of 223.28 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3H-isoindol-1-one is sourced from PubChem (CID 2836108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).