5-(Benzyloxy)-3,4-dihydroisoquinolin-1(2H)-one
Basic information
- Standard SMILES
O=C1NCCc2c(OCc3ccccc3)cccc21- InChIKey
NFAUYWCTFTVKIG-UHFFFAOYSA-N- Molecular formula
- C16H15NO2
- Average molar mass
- 253.29 g/mol
Names & identifiers
- Preferred name
- 5-(Benzyloxy)-3,4-dihydroisoquinolin-1(2H)-one
- IUPAC
- 5-phenylmethoxy-3,4-dihydro-2H-isoquinolin-1-one
Names & synonyms
129075-51-05-(Benzyloxy)-3,4-dihydroisoquinolin-1(2H)-one5-phenylmethoxy-3,4-dihydro-2H-isoquinolin-1-one3,4-Dihydro-5-(phenylmethoxy)-1(2H)-isoquinolinoneSCHEMBL7588431NFAUYWCTFTVKIG-UHFFFAOYSA-NDB-368091AB00681010-01SR-01000914952SR-01000914952-1
Database identifiers
- PubChem CID
- 7385142
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Related reactions
2 records
Compound notes
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