ChemSpider 2D Image | (2E,2'E)-1,1'-(4'-Bromo-3-hydroxy-5-methyl-2,6-biphenyldiyl)bis(3-phenyl-2-propen-1-one) | C31H23BrO3

(2E,2'E)-1,1'-(4'-Bromo-3-hydroxy-5-methyl-2,6-biphenyldiyl)bis(3-phenyl-2-propen-1-one)

  • Molecular FormulaC31H23BrO3
  • Average mass523.417 Da
  • Monoisotopic mass522.083069 Da
  • ChemSpider ID25047479

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,2'E)-1,1'-(4'-Brom-3-hydroxy-5-methyl-2,6-biphenyldiyl)bis(3-phenyl-2-propen-1-on) [German] [ACD/IUPAC Name]
(2E,2'E)-1,1'-(4'-Bromo-3-hydroxy-5-methyl-2,6-biphenyldiyl)bis(3-phenyl-2-propen-1-one) [ACD/IUPAC Name]
(2E,2'E)-1,1'-(4'-Bromo-3-hydroxy-5-méthyl-2,6-biphényldiyl)bis(3-phényl-2-propén-1-one) [French] [ACD/IUPAC Name]
2-Propen-1-one, 1,1'-(4'-bromo-3-hydroxy-5-methyl[1,1'-biphenyl]-2,6-diyl)bis[3-phenyl-, (2E,2'E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 736.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 399.0±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.95
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 157015.28
ACD/KOC (pH 5.5): 130970.27
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 3205.42
ACD/KOC (pH 7.4): 2673.72
Polar Surface Area: 54 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 386.4±3.0 cm3

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