3-benzylidene-1-(2-hydroxyphenyl)indol-2-one

C21H15NO2 — CID 70160793

IUPAC3-benzylidene-1-(2-hydroxyphenyl)indol-2-one
SMILESO=C1C(=Cc2ccccc2)c2ccccc2N1c1ccccc1O
InChIInChI=1S/C21H15NO2/c23-20-13-7-6-12-19(20)22-18-11-5-4-10-16(18)17(21(22)24)14-15-8-2-1-3-9-15/h1-14,23H
InChIKeyAAYMNVACOJACKT-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.61
Rot. Bonds2

About 3-benzylidene-1-(2-hydroxyphenyl)indol-2-one

3-benzylidene-1-(2-hydroxyphenyl)indol-2-one (PubChem CID 70160793) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-benzylidene-1-(2-hydroxyphenyl)indol-2-one.

Molecular Properties

Compound Name3-benzylidene-1-(2-hydroxyphenyl)indol-2-one
PubChem CID70160793
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name3-benzylidene-1-(2-hydroxyphenyl)indol-2-one
SMILESO=C1C(=Cc2ccccc2)c2ccccc2N1c1ccccc1O
InChIInChI=1S/C21H15NO2/c23-20-13-7-6-12-19(20)22-18-11-5-4-10-16(18)17(21(22)24)14-15-8-2-1-3-9-15/h1-14,23H
InChIKeyAAYMNVACOJACKT-UHFFFAOYSA-N
XLogP4.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-benzylidene-1-(2-hydroxyphenyl)indol-2-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-benzylidene-1-(2-hydroxyphenyl)indol-2-one?
The IUPAC name of 3-benzylidene-1-(2-hydroxyphenyl)indol-2-one (CID 70160793) is 3-benzylidene-1-(2-hydroxyphenyl)indol-2-one.
What is the SMILES notation for 3-benzylidene-1-(2-hydroxyphenyl)indol-2-one?
The canonical SMILES for 3-benzylidene-1-(2-hydroxyphenyl)indol-2-one is O=C1C(=Cc2ccccc2)c2ccccc2N1c1ccccc1O.
What is the InChIKey of 3-benzylidene-1-(2-hydroxyphenyl)indol-2-one?
The InChIKey is AAYMNVACOJACKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c23-20-13-7-6-12-19(20)22-18-11-5-4-10-16(18)17(21(22)24)14-15-8-2-1-3-9-15/h1-14,23H.
What are the key properties of 3-benzylidene-1-(2-hydroxyphenyl)indol-2-one?
3-benzylidene-1-(2-hydroxyphenyl)indol-2-one has a molecular weight of 313.36 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylidene-1-(2-hydroxyphenyl)indol-2-one is sourced from PubChem (CID 70160793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).