3-(4-Chlorophenyl)-3-hydroxy-2-benzylisoindolin-1-one
Basic information
- Standard SMILES
O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccccc1- InChIKey
IVVYITXRAYWUAQ-UHFFFAOYSA-N- Molecular formula
- C21H16ClNO2
- Average molar mass
- 349.8 g/mol
- Monoisotopic mass
- 349.0869564
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-3-hydroxy-2-benzylisoindolin-1-one
- IUPAC
- 2-benzyl-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one
Names & synonyms
CHEMBL16881372-benzyl-3-(4-chlorophenyl)-3-hydroxy-2,3-dihydroisoindolin-1-oneSCHEMBL1819888IVVYITXRAYWUAQ-UHFFFAOYSA-NBDBM50339417AKOS024351265ST509758933-(4-chlorophenyl)-3-hydroxy-2-benzylisoindolin-1-one
Database identifiers
- PubChem CID
- 3608080
- ChEMBL
CHEMBL1688137
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
Related reactions
4 records
Compound notes
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