1-Methoxy-4-(3-(trifluoromethyl)phenyl)isoquinolin-5-ol
Basic information
- CAS
656234-01-4- Standard SMILES
COc1ncc(-c2cccc(C(F)(F)F)c2)c2c(O)cccc12- InChIKey
HLOQAHQUMXVTGB-UHFFFAOYSA-N- Molecular formula
- C17H12F3NO2
- Average molar mass
- 319.28 g/mol
- Monoisotopic mass
- 319.08201311
Names & identifiers
- Preferred name
- 1-Methoxy-4-(3-(trifluoromethyl)phenyl)isoquinolin-5-ol
- IUPAC
- 1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol
Names & synonyms
656234-01-41-Methoxy-4-(3-(trifluoromethyl)phenyl)isoquinolin-5-ol1-Methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-olDTXSID50798349HLOQAHQUMXVTGB-UHFFFAOYSA-N
Database identifiers
- CAS
656234-01-4- PubChem CID
- 71375615
- DTXSID
DTXSID50798349
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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