2-Chloro-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone
Basic information
- CAS
24845-21-4- Standard SMILES
O=C(/C(=C/c1ccc(OCCN2CCCC2)cc1)c1ccccc1)c1ccccc1Cl- InChIKey
OQYSQTAURYFOLT-UHFFFAOYSA-N- Molecular formula
- C27H26ClNO2
- Average molar mass
- 432 g/mol
- Monoisotopic mass
- 431.1652068
Names & identifiers
- Preferred name
- 2-Chloro-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone
- IUPAC
- (E)-1-(2-chlorophenyl)-2-phenyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
- English name
- 2-Chloro-α-phenyl-4'-[2-(1-pyrrolidinyl)ethoxy]chalcone
- Molecular formula
- C27H26ClNO2
- Molecular weight
- 431.96
Names & synonyms
2-Chloro-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone24845-21-4Acrylophenone, 3-(o-chlorophenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)-CHALCONE, 2-CHLORO-alpha-PHENYL-4'-(2-(1-PYRROLIDINYL)ETHOXY)-2-Chloro-α-phenyl-4'-[2-(1-pyrrolidinyl)ethoxy]chalconeChalcone, 2-chloro-α-phenyl-4'-[2-(1-pyrrolidinyl)ethoxy]- (8CI)
Database identifiers
- CAS
24845-21-4- PubChem CID
- 6433865
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 586
Physicochemical properties
- Boiling point
- 592.2 · 592.2±50.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- pka
- 9.47 · 9.47±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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