3,4-Dichloro-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone

HCID 6433641

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Basic information

CAS: 15272-67-0
Standard SMILES: O=C(/C(=C/c1ccc(OCCN2CCCC2)cc1)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIKey: QMYBFYIWLFVXIW-UHFFFAOYSA-N
Molecular formula: C27H25Cl2NO2
Average molar mass: 466.4 g/mol
Monoisotopic mass: 465.1262344

Names & identifiers

Preferred name: 3,4-Dichloro-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone
IUPAC: (E)-1-(3,4-dichlorophenyl)-2-phenyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
English name: 3,4-Dichloro-α-phenyl-4'-[2-(1-pyrrolidinyl)ethoxy]chalcone
Molecular formula: C27H25Cl2NO2
Molecular weight: 466.4

Names & synonyms

15272-67-03,4-Dichloro-alpha-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)chalcone(E)-1-(3,4-dichlorophenyl)-2-phenyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one3,4-Dichloro-alpha-phenyl-4/'-[2-(1-pyrrolidinyl)ethoxy]chalcone3-(3,4-Dichlorophenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)acrylophenone3-(3,4-Dichlorophenyl)-2-phenyl-4'-beta-pyrrolidinoethoxyacrylophenoneCHALCONE, 3,4-DICHLORO-alpha-PHENYL-4'-(2-(1-PYRROLIDINYL)ETHOXY)-Acrylophenone, 3-(3,4-dichlorophenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)-FL7008003,4-Dichloro-α-phenyl-4'-[2-(1-pyrrolidinyl)ethoxy]chalconeβ-(3,4-Dichlorophenyl)-α-phenyl-4'-[2-(1-pyrrolidinyl)ethoxy]acrylophenone2-Propen-1-one, 3-(3,4-dichlorophenyl)-2-phenyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-

Database identifiers

CAS: 15272-67-0
PubChem CID: 6433641

Properties

Computed structural properties

XLogP: 7.1
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 619

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