Basic information
- Standard SMILES
O=C(c1ccccc1)C1OC1c1ccc(F)cc1- InChIKey
JSNXRAUQMWIZHM-UHFFFAOYSA-N- Molecular formula
- C15H11FO2
- Average molar mass
- 242.24 g/mol
- Monoisotopic mass
- 242.07430781
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-Fluorochalcone oxide
- IUPAC
- [3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanone
- English name
- 4-fluorochalcone oxide
- Molecular formula
- C15H11FO2
- Molecular weight
- 242.25
Names & synonyms
4-Fluorochalcone oxide42846-54-8RefChem:99013[3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanone[3-(4-fluorophenyl)oxiran-2-yl](phenyl)methanoneDTXSID20962737SCHEMBL650884CHEMBL3661416BDBM129342STK081375AKOS005391984NCGC00329802-01
Show more names
3-(4-Fluorophenyl)-2-benzoyloxiranePhenyl[3-(4-fluorophenyl)oxiranyl] ketoneα-[3-(4-Fluorophenyl)oxiranyl]benzaldehydeMethanone, [3-(4-fluorophenyl)-2-oxiranyl]phenyl-
US8815951, Epoxide Hydrolase Inhibitor 6AB01324251-02Methanone, (3-(4-fluorophenyl)oxiranyl)phenyl-
Database identifiers
- CAS
42846-54-8- PubChem CID
- 162531
- DTXSID
DTXSID20962737- ChEMBL
CHEMBL3661416- Nikkaji
- J415.692G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 372.01 · 372.010±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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