ChemSpider 2D Image | (2E)-3-[3,5-Dibromo-2-(2-hydroxyethoxy)phenyl]-1-[2-methoxy-5-(2-methyl-2-propanyl)phenyl]-2-propen-1-one | C22H24Br2O4

(2E)-3-[3,5-Dibromo-2-(2-hydroxyethoxy)phenyl]-1-[2-methoxy-5-(2-methyl-2-propanyl)phenyl]-2-propen-1-one

  • Molecular FormulaC22H24Br2O4
  • Average mass512.232 Da
  • Monoisotopic mass510.004120 Da
  • ChemSpider ID126671023

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[3,5-Dibrom-2-(2-hydroxyethoxy)phenyl]-1-[2-methoxy-5-(2-methyl-2-propanyl)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[3,5-Dibromo-2-(2-hydroxyethoxy)phenyl]-1-[2-methoxy-5-(2-methyl-2-propanyl)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-[3,5-Dibromo-2-(2-hydroxyéthoxy)phényl]-1-[2-méthoxy-5-(2-méthyl-2-propanyl)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[3,5-dibromo-2-(2-hydroxyethoxy)phenyl]-1-[5-(1,1-dimethylethyl)-2-methoxyphenyl]-, (2E)- [ACD/Index 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: 606.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 320.7±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 120.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 15038.24
ACD/KOC (pH 5.5): 34011.46
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 15038.24
ACD/KOC (pH 7.4): 34011.46
Polar Surface Area: 56 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 350.9±3.0 cm3

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