ChemSpider 2D Image | 2-(3-{3-[(5-Ethyl-2-hydroxy-4-biphenylyl)oxy]propoxy}-2-propylphenoxy)-6-fluorobenzoic acid | C33H33FO6

2-(3-{3-[(5-Ethyl-2-hydroxy-4-biphenylyl)oxy]propoxy}-2-propylphenoxy)-6-fluorobenzoic acid

  • Molecular FormulaC33H33FO6
  • Average mass544.610 Da
  • Monoisotopic mass544.226135 Da
  • ChemSpider ID8682129

More details:

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

2-(3-{3-[(5-Ethyl-2-hydroxy-4-biphenylyl)oxy]propoxy}-2-propylphenoxy)-6-fluorbenzoesäure [German] [ACD/IUPAC Name]
2-(3-{3-[(5-Ethyl-2-hydroxy-4-biphenylyl)oxy]propoxy}-2-propylphenoxy)-6-fluorobenzoic acid [ACD/IUPAC Name]
2-(3-{3-[(5-ethyl-2-hydroxybiphenyl-4-yl)oxy]propoxy}-2-propylphenoxy)-6-fluorobenzoic acid
Acide 2-(3-{3-[(5-éthyl-2-hydroxy-4-biphénylyl)oxy]propoxy}-2-propylphénoxy)-6-fluorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[3-[3-[(5-ethyl-2-hydroxy[1,1'-biphenyl]-4-yl)oxy]propoxy]-2-propylphenoxy]-6-fluoro- [ACD/Index Name]
2-{3-[3-(5-Ethyl-2-hydroxy-biphenyl-4-yloxy)-propoxy]-2-propyl-phenoxy}-6-fluoro-benzoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL423003/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 652.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.6±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: 7.78
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 439.62
ACD/KOC (pH 5.5): 431.85
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 202.74
ACD/KOC (pH 7.4): 199.16
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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