4-ethyl-5-[2-(4-fluorophenyl)-2-oxoethoxy]-7-methyl-2H-chromen-2-one
Basic information
- CAS
307546-53-8- Standard SMILES
CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(F)cc3)c12- InChIKey
IPLAJSCZLDIWBH-UHFFFAOYSA-N- Molecular formula
- C20H17FO4
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 340.11108718
Names & identifiers
- Preferred name
- 4-ethyl-5-[2-(4-fluorophenyl)-2-oxoethoxy]-7-methyl-2H-chromen-2-one
- IUPAC
- 4-ethyl-5-[2-(4-fluorophenyl)-2-oxoethoxy]-7-methylchromen-2-one
- English name
- 4-ethyl-5-[2-(4-fluorophenyl)-2-oxoethoxy]-7-methylchromen-2-one
- Molecular formula
- C20H17FO4
- Molecular weight
- 340.35
Names & synonyms
307546-53-84-Ethyl-5-[2-(4-fluorophenyl)-2-oxoethoxy]-7-methyl-2H-1-benzopyran-2-one4-ethyl-5-[2-(4-fluorophenyl)-2-oxoethoxy]-7-methyl-2H-chromen-2-one2H-1-Benzopyran-2-one, 4-ethyl-5-[2-(4-fluorophenyl)-2-oxoethoxy]-7-methyl-4-ETHYL-5-(2-(4-FLUOROPHENYL)-2-OXOETHOXY)-7-METHYL-2H-CHROMEN-2-ONEEnamine_003476Oprea1_646352DTXSID001147356HMS1403N22EiM07-13571STK921122AKOS001019326
Show more names
4-ethyl-5-[2-(4-fluorophenyl)-2-oxoethoxy]-7-methylchromen-2-one
SDCCGSBI-0661437.P001Z56846313
Database identifiers
- CAS
307546-53-8- PubChem CID
- 701532
- DTXSID
DTXSID001147356
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 536
Physicochemical properties
- Boiling point
- 528.7 · 528.7±50.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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