5-(4-Methoxy-phenyl)-1,3-dihydro-indol-2-one

HCID 20199634

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(-c2ccc3c(c2)CC(=O)N3)cc1
InChIKey: QLCDWJLACPDYPI-UHFFFAOYSA-N
Molecular formula: C15H13NO2
Average molar mass: 239.27 g/mol
Monoisotopic mass: 239.09462866

Names & identifiers

Preferred name: 5-(4-Methoxy-phenyl)-1,3-dihydro-indol-2-one
IUPAC: 5-(4-methoxyphenyl)-1,3-dihydroindol-2-one

Names & synonyms

5-(4-methoxy-phenyl)-1,3-dihydro-indol-2-oneSCHEMBL155069QLCDWJLACPDYPI-UHFFFAOYSA-N

Database identifiers

PubChem CID: 20199634

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 310

Related reactions

8 records

New reaction record

HRID 185518As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 827691As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 905766As reactantuspto-grants-2011_09

HRID 1559356As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1811236As reactantuspto-grants-2013_01

HRID 2068746As reactantuspto-grants-2012_10

HRID 2191464As reactantuspto-grants-2012_12

HRID 2365034As reactantuspto-grants-2014_04

Compound notes

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