2-(4-methylphenyl)indol-3-one

C15H11NO — CID 15261101

IUPAC2-(4-methylphenyl)indol-3-one
SMILESCc1ccc(C2=Nc3ccccc3C2=O)cc1
InChIInChI=1S/C15H11NO/c1-10-6-8-11(9-7-10)14-15(17)12-4-2-3-5-13(12)16-14/h2-9H,1H3
InChIKeyYELUROQMMWAHKH-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.31
Rot. Bonds1

About 2-(4-methylphenyl)indol-3-one

2-(4-methylphenyl)indol-3-one (PubChem CID 15261101) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(4-methylphenyl)indol-3-one.

Molecular Properties

Compound Name2-(4-methylphenyl)indol-3-one
PubChem CID15261101
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name2-(4-methylphenyl)indol-3-one
SMILESCc1ccc(C2=Nc3ccccc3C2=O)cc1
InChIInChI=1S/C15H11NO/c1-10-6-8-11(9-7-10)14-15(17)12-4-2-3-5-13(12)16-14/h2-9H,1H3
InChIKeyYELUROQMMWAHKH-UHFFFAOYSA-N
XLogP3.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)indol-3-one?
The IUPAC name of 2-(4-methylphenyl)indol-3-one (CID 15261101) is 2-(4-methylphenyl)indol-3-one.
What is the SMILES notation for 2-(4-methylphenyl)indol-3-one?
The canonical SMILES for 2-(4-methylphenyl)indol-3-one is Cc1ccc(C2=Nc3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)indol-3-one?
The InChIKey is YELUROQMMWAHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c1-10-6-8-11(9-7-10)14-15(17)12-4-2-3-5-13(12)16-14/h2-9H,1H3.
What are the key properties of 2-(4-methylphenyl)indol-3-one?
2-(4-methylphenyl)indol-3-one has a molecular weight of 221.26 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)indol-3-one is sourced from PubChem (CID 15261101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).