Basic information
- CAS
61999-52-8- Standard SMILES
COc1ccc(C(=O)C2=NCCc3cc(O)c(OC)cc32)cc1O- InChIKey
NWSKIECEGPMDOZ-UHFFFAOYSA-N- Molecular formula
- C18H17NO5
- Average molar mass
- 327.3 g/mol
- Monoisotopic mass
- 327.11067264
Names & identifiers
- Preferred name
- 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one
- IUPAC
- (6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
Names & synonyms
61999-52-8NSC2674071-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-oneDTXSID10418430NSC-2674071-(3-Hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydroisoquinolin-6(2H)-one
Database identifiers
- CAS
61999-52-8- PubChem CID
- 320327
- DTXSID
DTXSID10418430
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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