Basic information
- CAS
16675-65-3- Standard SMILES
COc1cc2c(cc1O)C(O)CN(CCC(C)=O)C2- InChIKey
QKCWQYGJZCHFDB-UHFFFAOYSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.13140809
Names & identifiers
- Preferred name
- 4-(4,6-Dihydroxy-7-methoxy-3,4-dihydroisoquinolin-2(1h)-yl)butan-2-one
- IUPAC
- 4-(4,6-dihydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one
Names & synonyms
16675-65-3NSC1316854-(4,6-dihydroxy-7-methoxy-3,4-dihydroisoquinolin-2(1h)-yl)butan-2-oneDTXSID60299635NSC-131685
Database identifiers
- CAS
16675-65-3- PubChem CID
- 280233
- DTXSID
DTXSID60299635
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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