ChemSpider 2D Image | 4-{3-Hydroxy-2-[(2'-hydroxy-3,3'-dimethoxy-5,5'-dipropyl-2-biphenylyl)oxy]propanoyl}-2-methoxyphenyl benzoate | C37H40O9

4-{3-Hydroxy-2-[(2'-hydroxy-3,3'-dimethoxy-5,5'-dipropyl-2-biphenylyl)oxy]propanoyl}-2-methoxyphenyl benzoate

  • Molecular FormulaC37H40O9
  • Average mass628.708 Da
  • Monoisotopic mass628.267212 Da
  • ChemSpider ID8969352

More details:

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

1-Propanone, 1-[4-(benzoyloxy)-3-methoxyphenyl]-3-hydroxy-2-[(2'-hydroxy-3,3'-dimethoxy-5,5'-dipropyl[1,1'-biphenyl]-2-yl)oxy]- [ACD/Index Name]
4-{3-Hydroxy-2-[(2'-hydroxy-3,3'-dimethoxy-5,5'-dipropyl-2-biphenylyl)oxy]propanoyl}-2-methoxyphenyl benzoate [ACD/IUPAC Name]
4-{3-Hydroxy-2-[(2'-hydroxy-3,3'-dimethoxy-5,5'-dipropyl-2-biphenylyl)oxy]propanoyl}-2-methoxyphenyl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 4-{3-hydroxy-2-[(2'-hydroxy-3,3'-diméthoxy-5,5'-dipropyl-2-biphénylyl)oxy]propanoyl}-2-méthoxyphényle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 774.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 239.2±26.4 °C
Index of Refraction: 1.587
Molar Refractivity: 175.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 31735.86
ACD/KOC (pH 5.5): 58047.24
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31485.82
ACD/KOC (pH 7.4): 57589.91
Polar Surface Area: 121 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 521.5±3.0 cm3

Click to predict properties on the Chemicalize site


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