3-(3-Fluorophenyl)-1-phenylprop-2-en-1-one
Basic information
- CAS
22966-12-7- Standard SMILES
O=C(/C=C/c1cccc(F)c1)c1ccccc1- InChIKey
HMPMIRDTAXRDAQ-MDZDMXLPSA-N- Molecular formula
- C15H11FO
- Average molar mass
- 226.24 g/mol
- Monoisotopic mass
- 226.07939313
Names & identifiers
- Preferred name
- 3-(3-Fluorophenyl)-1-phenylprop-2-en-1-one
- IUPAC
- (E)-3-(3-fluorophenyl)-1-phenylprop-2-en-1-one
Names & synonyms
22966-12-7(2E)-3-(3-fluorophenyl)-1-phenylprop-2-en-1-onetrans-3-FluorochalconeNSC636923(E)-3-(3-fluorophenyl)-1-phenylprop-2-en-1-one(E)-3-(3-fluorophenyl)-1-phenyl-prop-2-en-1-oneSCHEMBL9779502CHEMBL4099226HMPMIRDTAXRDAQ-MDZDMXLPSA-NMFCD00443470AKOS001377467NSC-636923
Show more names
CS-0332006ST451027073-(3-Fluorophenyl)-1-phenyl-2-propen-1-one2-Propen-1-one, 3-(3-fluorophenyl)-1-phenyl-SR-01000013693SR-01000013693-1Z46028404(2E)-3-(3-Fluorophenyl)-1-phenyl-2-propen-1-one #
Database identifiers
- CAS
22966-12-7- PubChem CID
- 5367157
- ChEMBL
CHEMBL4099226- Nikkaji
- J1.687.037D、J2.089.448B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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