2-Benzyl-5-methoxy-3,4-dihydroisoquinolin-1(2H)-one
Basic information
- CAS
850905-26-9- Standard SMILES
COc1cccc2c1CCN(Cc1ccccc1)C2=O- InChIKey
FFYKNXLMEOVLNL-UHFFFAOYSA-N- Molecular formula
- C17H17NO2
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.12592879
Names & identifiers
- Preferred name
- 2-Benzyl-5-methoxy-3,4-dihydroisoquinolin-1(2H)-one
- IUPAC
- 2-benzyl-5-methoxy-3,4-dihydroisoquinolin-1-one
Names & synonyms
850905-26-9F0556-02172-BENZYL-5-METHOXY-3,4-DIHYDROISOQUINOLIN-1(2H)-ONEIFLab1_002388DTXSID20366716HMS1418M12AKOS024583120CCG-347044SR-01000007058SR-01000007058-1
Database identifiers
- CAS
850905-26-9- PubChem CID
- 2151978
- DTXSID
DTXSID20366716
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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