3-Methoxy-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone
Basic information
- CAS
15288-31-0- Standard SMILES
COc1cccc(/C=C(/C(=O)c2ccc(OCCN3CCCC3)cc2)c2ccccc2)c1- InChIKey
MTQWJFCEUWQEDF-UHFFFAOYSA-N- Molecular formula
- C28H29NO3
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.21474379
Names & identifiers
- Preferred name
- 3-Methoxy-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone
- IUPAC
- (E)-3-(3-methoxyphenyl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
- English name
- β-(3-Methoxyphenyl)-α-phenyl-4'-[2-(1-pyrrolidinyl)ethoxy]acrylophenone
- Molecular formula
- C28H29NO3
- Molecular weight
- 427.53
Names & synonyms
15288-31-03-Methoxy-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone3-(m-Methoxyphenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)acrylophenone(E)-3-(3-methoxyphenyl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one3-m-Methoxyphenyl-2-phenyl-4'-beta-pyrrolidinoethoxyacrylophenoneChalcone, 3-methoxy-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)-Acrylophenone, 3-(m-methoxyphenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)-beta-(3-Methoxyphenyl)-alpha-phenyl-4/'-[2-(1-pyrrolidinyl)ethoxy]acrylophenone3-Methoxy-α-phenyl-4'-[2-(1-pyrrolidinyl)ethoxy]chalconeβ-(3-Methoxyphenyl)-α-phenyl-4'-[2-(1-pyrrolidinyl)ethoxy]acrylophenone2-Propen-1-one, 3-(3-methoxyphenyl)-2-phenyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-
Database identifiers
- CAS
15288-31-0- PubChem CID
- 6444673
- Nikkaji
- J73.368G
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 598
Physicochemical properties
- Boiling point
- 598.5 · 598.5±50.0 °C(Predicted)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- pka
- 9.47 · 9.47±0.20(Predicted)
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Compound notes
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