4-Fluorophenyl 2-hydroxy-4-(octoxy)phenyl ketone
Basic information
- CAS
84794-99-0- Standard SMILES
CCCCCCCCOc1ccc(C(=O)c2ccc(F)cc2)c(O)c1- InChIKey
LHIZUAMWFQUYCY-UHFFFAOYSA-N- Molecular formula
- C21H25FO3
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.17877282
Names & identifiers
- Preferred name
- 4-Fluorophenyl 2-hydroxy-4-(octoxy)phenyl ketone
- IUPAC
- (4-fluorophenyl)-(2-hydroxy-4-octoxyphenyl)methanone
- English name
- 4-fluorophenyl 2-hydroxy-4-(octoxy)phenyl ketone
- Molecular formula
- C13H10FO10
- Molecular weight
- 345.2109032
Names & synonyms
EINECS 284-165-684794-99-04-Fluorophenyl 2-hydroxy-4-(octoxy)phenyl ketone(4-Fluorophenyl)[2-hydroxy-4-(octyloxy)phenyl]methanoneDTXSID40233835LHIZUAMWFQUYCY-UHFFFAOYSA-NNS00123137
Database identifiers
- CAS
84794-99-0- PubChem CID
- 3020133
- DTXSID
DTXSID40233835- EC Number
- 284-165-6
- Nikkaji
- J309.447B
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Melting point
- 48 · 48–49°C
Chemistry & industry
Preparation methods
PreparationPreparation by reaction of 1-bromooc tane with 4′-fluoro-2,4-dihydroxyben zophenone in the presence of sodium bicarbonate in cyclohexanone for 5 h at 150° (72%).
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Related reactions
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Compound notes
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