Basic information
- CAS
620605-88-1- Standard SMILES
O=C1NCCc2cc(OCc3cccc(F)c3)ccc21- InChIKey
DUBYHOLRDXMYAY-UHFFFAOYSA-N- Molecular formula
- C16H14FNO2
- Average molar mass
- 271.29 g/mol
- Monoisotopic mass
- 271.10085685
Names & identifiers
- Preferred name
- 6-[(3-Fluorophenyl)methoxy]-3,4-dihydroisoquinolin-1(2H)-one
- IUPAC
- 6-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
Names & synonyms
620605-88-1SCHEMBL4425403DTXSID30627244DUBYHOLRDXMYAY-UHFFFAOYSA-N6-[(3-Fluorophenyl)methoxy]-3,4-dihydroisoquinolin-1(2H)-oneZ21691945266-(3-Fluoro-benzyloxy)-3,4-dihydro-2H-isoquinolin-1-one
Database identifiers
- CAS
620605-88-1- PubChem CID
- 22641908
- DTXSID
DTXSID30627244
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Related reactions
6 records
Compound notes
Loading…