Basic information
- Standard SMILES
COc1ccc(C(C)C)cc1C1(O)C(=O)Nc2ccc(Cl)cc21- InChIKey
BAXQYVMLDHLFAJ-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO3
- Average molar mass
- 331.8 g/mol
Names & identifiers
- Preferred name
- 5-chloro-3-hydroxy-3-(5-isopropyl-2-methoxyphenyl)-1,3-dihydro-2H-indol-2-one
- IUPAC
- 5-chloro-3-hydroxy-3-(2-methoxy-5-propan-2-ylphenyl)-1H-indol-2-one
Names & synonyms
SCHEMBL2495089BAXQYVMLDHLFAJ-UHFFFAOYSA-N5-chloro-3-hydroxy-3-(5-isopropyl-2-methoxyphenyl)-1,3-dihydro-2H-indol-2-one
Database identifiers
- PubChem CID
- 67428645
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 458
Related reactions
2 records
Compound notes
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