6-ethyl-2-methyl-7-phenoxy-3-[(1-phenyl-1H-pyrazol-4-yl)oxy]-4H-chromen-4-one
Basic information
- CAS
1007468-18-9- Standard SMILES
CCc1cc2c(=O)c(Oc3cnn(-c4ccccc4)c3)c(C)oc2cc1Oc1ccccc1- InChIKey
SMEADJMTIGJQDF-UHFFFAOYSA-N- Molecular formula
- C27H22N2O4
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.15795719
Names & identifiers
- Preferred name
- 6-ethyl-2-methyl-7-phenoxy-3-[(1-phenyl-1H-pyrazol-4-yl)oxy]-4H-chromen-4-one
- IUPAC
- 6-ethyl-2-methyl-7-phenoxy-3-(1-phenylpyrazol-4-yl)oxychromen-4-one
- English name
- 6-Ethyl-2-methyl-7-phenoxy-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-4-one
- Molecular formula
- C27H22N2O4
- Molecular weight
- 438.48
Names & synonyms
DTXSID201131672AKOS0243275546-ethyl-2-methyl-7-phenoxy-3-[(1-phenyl-1H-pyrazol-4-yl)oxy]-4H-chromen-4-one1007468-18-96-Ethyl-2-methyl-7-phenoxy-3-[(1-phenyl-1H-pyrazol-4-yl)oxy]-4H-1-benzopyran-4-one6-Ethyl-2-methyl-7-phenoxy-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-4-one4H-1-Benzopyran-4-one, 6-ethyl-2-methyl-7-phenoxy-3-[(1-phenyl-1H-pyrazol-4-yl)oxy]-
Database identifiers
- CAS
1007468-18-9- PubChem CID
- 3691325
- DTXSID
DTXSID201131672
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 713
Physicochemical properties
- Boiling point
- 573.53 · 573.530±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.236 · 1.236±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.21 · 0.210±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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