ChemSpider 2D Image | 2-(3-{3-[(2-Ethyl-4'-fluoro-6-hydroxy-4-biphenylyl)oxy]propoxy}-2-propylphenoxy)benzoic acid | C33H33FO6

2-(3-{3-[(2-Ethyl-4'-fluoro-6-hydroxy-4-biphenylyl)oxy]propoxy}-2-propylphenoxy)benzoic acid

  • Molecular FormulaC33H33FO6
  • Average mass544.610 Da
  • Monoisotopic mass544.226135 Da
  • ChemSpider ID8319259

More details:

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

2-(3-{3-[(2-Ethyl-4'-fluor-6-hydroxy-4-biphenylyl)oxy]propoxy}-2-propylphenoxy)benzoesäure [German] [ACD/IUPAC Name]
2-(3-{3-[(2-Ethyl-4'-fluoro-6-hydroxy-4-biphenylyl)oxy]propoxy}-2-propylphenoxy)benzoic acid [ACD/IUPAC Name]
Acide 2-(3-{3-[(2-éthyl-4'-fluoro-6-hydroxy-4-biphénylyl)oxy]propoxy}-2-propylphénoxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[3-[3-[(2-ethyl-4'-fluoro-6-hydroxy[1,1'-biphenyl]-4-yl)oxy]propoxy]-2-propylphenoxy]- [ACD/Index 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: 674.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 361.8±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 152.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 1885.63
ACD/KOC (pH 5.5): 1900.56
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 201.79
ACD/KOC (pH 7.4): 203.39
Polar Surface Area: 85 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 448.0±3.0 cm3

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