Basic information
- Standard SMILES
O=c1c2ccccc2c(-c2ccccc2)cn1CCCO- InChIKey
HVSVWRBFHSTLBJ-UHFFFAOYSA-N- Molecular formula
- C18H17NO2
- Average molar mass
- 279.3 g/mol
- Monoisotopic mass
- 279.12592879
Names & identifiers
- Preferred name
- 2-(3-hydroxypropyl)-4-phenyl-1(2H)-isoquinolone
- IUPAC
- 2-(3-hydroxypropyl)-4-phenylisoquinolin-1-one
Names & synonyms
SCHEMBL11175872HVSVWRBFHSTLBJ-UHFFFAOYSA-N2-(3-hydroxypropyl)-4-phenyl-1(2H)-isoquinolone2-(3-hydroxypropyl)-4-phenyl-1-(2H)-isoquinolone
Database identifiers
- PubChem CID
- 12812964
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 398
Related reactions
4 records
Compound notes
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