(E)-1-(2,4-dichlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
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Basic information
- CAS
1485583-09-2- Standard SMILES
COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OC- InChIKey
UVIGPWQADGJLAG-RMKNXTFCSA-N- Molecular formula
- C17H14Cl2O3
- Average molar mass
- 337.2 g/mol
- Monoisotopic mass
- 336.0319997
Names & identifiers
- Preferred name
- (E)-1-(2,4-dichlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
- IUPAC
- (E)-1-(2,4-dichlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
- English name
- 1-(2,4-dichlorophenyl)-3-(2,3-dimethoxyphenyl)-2-propen-1-one
- Molecular formula
- C17H14Cl2O3
- Molecular weight
- 337.2
Names & synonyms
1485583-09-2(E)-1-(2,4-dichlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-oneMFCD010508431-(2,4-dichlorophenyl)-3-(2,3-dimethoxyphenyl)-2-propen-1-one(2E)-1-(2,4-Dichlorophenyl)-3-(2,3-dimethoxyphenyl)-2-propen-1-oneNSC736578NSC-736578AR-685/11571500(2E)-1-(2,4-Dichlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
Database identifiers
- CAS
1485583-09-2- PubChem CID
- 7720068
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Boiling point
- 478.464 · 478.464±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
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Compound notes
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