ChemSpider 2D Image | 3-(3-Bromo-4-hydroxy-5-methoxyphenyl)-1-{4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}-2-propen-1-one | C22H22BrNO6

3-(3-Bromo-4-hydroxy-5-methoxyphenyl)-1-{4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}-2-propen-1-one

  • Molecular FormulaC22H22BrNO6
  • Average mass476.317 Da
  • Monoisotopic mass475.063049 Da
  • ChemSpider ID35427912

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Propen-1-one, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]- [ACD/Index Name]
3-(3-Brom-4-hydroxy-5-methoxyphenyl)-1-{4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}-2-propen-1-on [German] [ACD/IUPAC Name]
3-(3-Bromo-4-hydroxy-5-methoxyphenyl)-1-{4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}-2-propen-1-one [ACD/IUPAC Name]
3-(3-Bromo-4-hydroxy-5-méthoxyphényl)-1-{4-[2-(4-morpholinyl)-2-oxoéthoxy]phényl}-2-propén-1-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 655.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 350.1±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 116.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 111.74
ACD/KOC (pH 5.5): 1017.43
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 98.21
ACD/KOC (pH 7.4): 894.25
Polar Surface Area: 85 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 327.2±3.0 cm3

Click to predict properties on the Chemicalize site


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