Basic information
- Standard SMILES
CC(C)(c1ccccc1)N1C(=O)c2c(C=O)ccc(Cl)c2C1O- InChIKey
QBWQZKXUSSCSSB-UHFFFAOYSA-N- Molecular formula
- C18H16ClNO3
- Average molar mass
- 329.8 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-3-hydroxy-7-formyl-2-(1-methyl-1-phenylethyl)isoindolinone
- IUPAC
- 7-chloro-1-hydroxy-3-oxo-2-(2-phenylpropan-2-yl)-1H-isoindole-4-carbaldehyde
Names & synonyms
SCHEMBL3043938QBWQZKXUSSCSSB-UHFFFAOYSA-N4-chloro-3-hydroxy-7-formyl-2-(1-methyl-1-phenylethyl)isoindolinone
Database identifiers
- PubChem CID
- 86628232
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 475
Related reactions
3 records
Compound notes
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