6-ethyl-3-(2-fluorophenoxy)-7-hydroxy-4H-chromen-4-one
Basic information
- CAS
328019-23-4- Standard SMILES
CCc1cc2c(=O)c(Oc3ccccc3F)coc2cc1O- InChIKey
FTBMYCXWONENFQ-UHFFFAOYSA-N- Molecular formula
- C17H13FO4
- Average molar mass
- 300.28 g/mol
- Monoisotopic mass
- 300.07978705
Names & identifiers
- Preferred name
- 6-ethyl-3-(2-fluorophenoxy)-7-hydroxy-4H-chromen-4-one
- IUPAC
- 6-ethyl-3-(2-fluorophenoxy)-7-hydroxychromen-4-one
- English name
- 6-Ethyl-3-(2-fluorophenoxy)-7-hydroxy-4H-chromen-4-one
- Molecular formula
- C17H13FO4
- Molecular weight
- 300.28
Names & synonyms
6-ethyl-3-(2-fluorophenoxy)-7-hydroxy-4H-chromen-4-oneOprea1_501777Oprea1_510427AKOS003614656SR-01000240569SR-01000240569-14H-1-Benzopyran-4-one, 6-ethyl-3-(2-fluorophenoxy)-7-hydroxy-
Database identifiers
- CAS
328019-23-4- PubChem CID
- 5407899
- EC Number
- 114-861-6
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Boiling point
- 452.74 · 452.740±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.365 · 1.365±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.978 · 6.978±0.20(predicted)
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Compound notes
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