Basic information
- CAS
128944-43-4- Standard SMILES
COC1=CC2=C(Cc3ccc(O)cc3)NCCC2=CC1=O- InChIKey
DEGDURLFMJKJMW-UHFFFAOYSA-N- Molecular formula
- C17H17NO3
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.1208434
Names & identifiers
- Preferred name
- CID 5378176
- IUPAC
- 1-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one
- English name
- 2,3,4,6-Tetrahydroisoquinolin-6-one, 1-[4-hydroxybenzyl]-7-methoxy-
- Molecular weight
- 0
Names & synonyms
2,3,4,6-Tetrahydroisoquinolin-6-one, 1-[4-hydroxybenzyl]-7-methoxy-
Database identifiers
- CAS
128944-43-4- PubChem CID
- 5378176
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 522
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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