Basic information
- Standard SMILES
CC(O)(c1ccc(OCc2ccccc2)cc1)C(F)(F)F- InChIKey
OPALQDHETVQLCV-UHFFFAOYSA-N- Molecular formula
- C16H15F3O2
- Average molar mass
- 296.28 g/mol
- Monoisotopic mass
- 296.1024142
Names & identifiers
- Preferred name
- 4-(2-Hydroxy-1,1,1-trifluoro-2-propyl)phenol benzyl ether
- IUPAC
- 1,1,1-trifluoro-2-(4-phenylmethoxyphenyl)propan-2-ol
Names & synonyms
SCHEMBL8483069OPALQDHETVQLCV-UHFFFAOYSA-NAKOS0109099534-(2-Hydroxy-1,1,1 -trifluoro-2-propyl)phenol benzyl ether4-(2-hydroxy-1,1,1-trifluoro-2-propyl)phenol benzyl ether
Database identifiers
- PubChem CID
- 57017446
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 318
Related reactions
2 records
Compound notes
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