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

C15H11NO2 — CID 2308516

IUPAC2-(4-methoxyphenyl)indol-3-one
SMILESCOc1ccc(C2=Nc3ccccc3C2=O)cc1
InChIInChI=1S/C15H11NO2/c1-18-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16-14/h2-9H,1H3
InChIKeyGIZFWLIYQQKDBT-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.01
Rot. Bonds2

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

2-(4-methoxyphenyl)indol-3-one (PubChem CID 2308516) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)indol-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)indol-3-one
PubChem CID2308516
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name2-(4-methoxyphenyl)indol-3-one
SMILESCOc1ccc(C2=Nc3ccccc3C2=O)cc1
InChIInChI=1S/C15H11NO2/c1-18-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16-14/h2-9H,1H3
InChIKeyGIZFWLIYQQKDBT-UHFFFAOYSA-N
XLogP3.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)indol-3-one?
The IUPAC name of 2-(4-methoxyphenyl)indol-3-one (CID 2308516) is 2-(4-methoxyphenyl)indol-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)indol-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)indol-3-one is COc1ccc(C2=Nc3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)indol-3-one?
The InChIKey is GIZFWLIYQQKDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-18-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16-14/h2-9H,1H3.
What are the key properties of 2-(4-methoxyphenyl)indol-3-one?
2-(4-methoxyphenyl)indol-3-one has a molecular weight of 237.26 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)indol-3-one is sourced from PubChem (CID 2308516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).