ChemSpider 2D Image | 7-(2,5-Dihydroxy-3,4,6-trimethylphenyl)-7-(4-fluorophenyl)heptanoic acid | C22H27FO4

7-(2,5-Dihydroxy-3,4,6-trimethylphenyl)-7-(4-fluorophenyl)heptanoic acid

  • Molecular FormulaC22H27FO4
  • Average mass374.446 Da
  • Monoisotopic mass374.189331 Da
  • ChemSpider ID23161914

More details:

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

7-(2,5-Dihydroxy-3,4,6-trimethylphenyl)-7-(4-fluorophenyl)heptanoic acid [ACD/IUPAC Name]
7-(2,5-Dihydroxy-3,4,6-trimethylphenyl)-7-(4-fluorphenyl)heptansäure [German] [ACD/IUPAC Name]
Acide 7-(2,5-dihydroxy-3,4,6-triméthylphényl)-7-(4-fluorophényl)heptanoïque [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, ζ-(4-fluorophenyl)-2,5-dihydroxy-3,4,6-trimethyl- [ACD/Index Name]
7-(2,5-Dihydroxy-3,4,6-trimethyl-phenyl)-7-(4-fluoro-phenyl)-heptanoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 586.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 308.7±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 103.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 248.68
ACD/KOC (pH 5.5): 1064.27
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 3.98
ACD/KOC (pH 7.4): 17.03
Polar Surface Area: 78 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 313.1±3.0 cm3

Click to predict properties on the Chemicalize site


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