Basic information
- CAS
16675-66-4- Standard SMILES
COc1cc2c(cc1OC)C(O)CN(CCC(C)=O)C2- InChIKey
OXOIRASLXWAYFP-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.14705815
Names & identifiers
- Preferred name
- 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one
- IUPAC
- 4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one
Names & synonyms
16675-66-44-(4-hydroxy-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)butan-2-oneNSC1317044-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-oneDTXSID70299641DTXSID80937320AKOS004901665NSC-131704167398-28-9
Database identifiers
- CAS
16675-66-4、167398-28-9- PubChem CID
- 280248
- DTXSID
DTXSID70299641
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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