5-(3-Acetylphenyl)-3-trifluoromethoxyphenol
Basic information
- CAS
1261920-50-6- Standard SMILES
CC(=O)c1cccc(-c2cc(O)cc(OC(F)(F)F)c2)c1- InChIKey
VHWGBFVQJDZBNV-UHFFFAOYSA-N- Molecular formula
- C15H11F3O3
- Average molar mass
- 296.24 g/mol
- Monoisotopic mass
- 296.06602869
Names & identifiers
- Preferred name
- 5-(3-Acetylphenyl)-3-trifluoromethoxyphenol
- IUPAC
- 1-[3-[3-hydroxy-5-(trifluoromethoxy)phenyl]phenyl]ethanone
Names & synonyms
1261920-50-65-(3-ACETYLPHENYL)-3-TRIFLUOROMETHOXYPHENOL1-[3-[3-hydroxy-5-(trifluoromethoxy)phenyl]phenyl]ethanoneMFCD18316280DTXSID106865915-(3-Acetylphenyl)-3-trifluoromethoxyphenol, 95%1-[3'-Hydroxy-5'-(trifluoromethoxy)[1,1'-biphenyl]-3-yl]ethan-1-one
Database identifiers
- CAS
1261920-50-6- PubChem CID
- 53222003
- DTXSID
DTXSID10686591
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
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Compound notes
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