Basic information
- Standard SMILES
COc1cccc2c(=O)[nH]c(-c3ccccc3)cc12- InChIKey
GWMUBTPCHHPSSK-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
Names & identifiers
- Preferred name
- 5-Methoxy-3-phenyl-1(2H)-isoquinolinone
- IUPAC
- 5-methoxy-3-phenyl-2H-isoquinolin-1-one
Names & synonyms
5-Methoxy-3-phenyl-1(2H)-isoquinolinoneSCHEMBL9447439GWMUBTPCHHPSSK-UHFFFAOYSA-NDB-185914129075-63-4
Database identifiers
- PubChem CID
- 19802525
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Related reactions
1 records
Compound notes
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