(E)-1,3-bis(1,3-benzodioxol-5-yl)prop-2-en-1-one
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Basic information
- CAS
76530-89-7- Standard SMILES
O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2- InChIKey
BJVBIPGXQAUWBA-UHFFFAOYSA-N- Molecular formula
- C17H12O5
- Average molar mass
- 296.27 g/mol
- Monoisotopic mass
- 296.06847348
Names & identifiers
- Preferred name
- (E)-1,3-bis(1,3-benzodioxol-5-yl)prop-2-en-1-one
- IUPAC
- (E)-1,3-bis(1,3-benzodioxol-5-yl)prop-2-en-1-one
- English name
- Bis(3,4-methylenedioxy)chalcone
- Molecular formula
- C17H12O5
- Molecular weight
- 296.27
Names & synonyms
76530-89-7(E)-1,3-bis(1,3-benzodioxol-5-yl)prop-2-en-1-oneBis(3,4-methylenedioxy)chalcone1,3-bis(1,3-benzodioxol-5-yl)prop-2-en-1-one1,3-Bis(benzo[d][1,3]dioxol-5-yl)prop-2-en-1-one2-Propen-1-one, 1,3-bis(1,3-benzodioxol-5-yl)-, (E)-88755-19-5NSC1624942-Propen-1-one,1,3-bis(1,3-benzodioxol-5-yl)-SCHEMBL108665CHEMBL1946289STK950812
Show more names
NSC 1624941,3-Bis(1,3-benzodioxol-5-yl)-3,4:3',4'-bis(methylenedioxy)chalcone1,3-Bis(1,3-benzodioxol-5-yl)-2-propen-1-one
AKOS002239936NSC-162494DB-264543CS-0358026ST45020247SR-01000247528SR-01000247528-1(2E)-1,3-bis(1,3-benzodioxol-5-yl)prop-2-en-1-one
Database identifiers
- CAS
76530-89-7- PubChem CID
- 5735293
- ChEMBL
CHEMBL1946289
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 176 · 176-178 °C
- Boiling point
- 490.097 · 490.097±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.396 · 1.396±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Applications
UsesUsed for the treatment of amyloid diseases and synucleinopathies such as Alzheimer disease, type 2 diabetes, and Parkinson disease.
UsesBis(3,4-methylenedioxy)chalcone is used for the treatment of amyloid diseases and synucleinopathies such as Alzheimer's disease, type 2 diabetes, and Parkinson's disease.
Related reactions
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Compound notes
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