6-ethyl-3-(4-fluorophenyl)-7-methoxy-2-methyl-4H-chromen-4-one
Basic information
- CAS
328018-65-1- Standard SMILES
CCc1cc2c(=O)c(-c3ccc(F)cc3)c(C)oc2cc1OC- InChIKey
NMGSPBNFDFEUBZ-UHFFFAOYSA-N- Molecular formula
- C19H17FO3
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.11617256
Names & identifiers
- Preferred name
- 6-ethyl-3-(4-fluorophenyl)-7-methoxy-2-methyl-4H-chromen-4-one
- IUPAC
- 6-ethyl-3-(4-fluorophenyl)-7-methoxy-2-methylchromen-4-one
- English name
- 6-Ethyl-3-(4-fluorophenyl)-7-methoxy-2-methyl-4H-chromen-4-one
- Molecular formula
- C19H17FO3
- Molecular weight
- 312.34
Names & synonyms
6-ethyl-3-(4-fluorophenyl)-7-methoxy-2-methyl-4H-chromen-4-oneOprea1_151414Oprea1_268847SCHEMBL13386889AKOS0036146284H-1-Benzopyran-4-one, 6-ethyl-3-(4-fluorophenyl)-7-methoxy-2-methyl-
Database identifiers
- CAS
328018-65-1- PubChem CID
- 797298
- EC Number
- 122-691-9
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Boiling point
- 448.522 · 448.522±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…