1-(4-Fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
Basic information
- CAS
28081-15-4- Standard SMILES
COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1O- InChIKey
LCFQCHVCMUAICK-UHFFFAOYSA-N- Molecular formula
- C16H13FO3
- Average molar mass
- 272.27 g/mol
- Monoisotopic mass
- 272.08487243
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
- IUPAC
- 1-(4-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
Names & synonyms
SCHEMBL25198994DTXSID001174474AKOS0343803881-(4-Fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one1-(4-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one28081-15-4
Database identifiers
- CAS
28081-15-4- PubChem CID
- 72079537
- DTXSID
DTXSID001174474
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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