2-Propen-1-one, 1-(5-bromo-2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-
Basic information
- CAS
78050-55-2- Standard SMILES
O=C(/C=C/c1ccc(O)c(O)c1)c1cc(Br)c(O)cc1O- InChIKey
JKCCZUPHCDADMP-UHFFFAOYSA-N- Molecular formula
- C15H11BrO5
- Average molar mass
- 351.15 g/mol
- Monoisotopic mass
- 349.97899
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(5-bromo-2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-
- IUPAC
- (E)-1-(5-bromo-2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
- English name
- 1-(5-Bromo-2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one
- Molecular formula
- C15H11BrO5
- Molecular weight
- 351.15
Names & synonyms
78050-55-22-Propen-1-one, 1-(5-bromo-2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-RefChem:1064384BRN 5577600Acrylophenone, 5'-bromo-2',4'-dihydroxy-3-(3,4-dihydroxyphenyl)-1-(5-Bromo-2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one
Database identifiers
- CAS
78050-55-2- PubChem CID
- 6447571
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Boiling point
- 595.645 · 595.645±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.758 · 1.758±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.929 · 5.929±0.25(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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