ChemSpider 2D Image | 7-(4-Fluorophenyl)-7-[2-hydroxy-5-(methoxymethyl)-3,4,6-trimethylphenyl]heptanoic acid | C24H31FO4

7-(4-Fluorophenyl)-7-[2-hydroxy-5-(methoxymethyl)-3,4,6-trimethylphenyl]heptanoic acid

  • Molecular FormulaC24H31FO4
  • Average mass402.499 Da
  • Monoisotopic mass402.220642 Da
  • ChemSpider ID23161642

More details:

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

7-(4-Fluorophenyl)-7-[2-hydroxy-5-(methoxymethyl)-3,4,6-trimethylphenyl]heptanoic acid [ACD/IUPAC Name]
7-(4-Fluorphenyl)-7-[2-hydroxy-5-(methoxymethyl)-3,4,6-trimethylphenyl]heptansäure [German] [ACD/IUPAC Name]
Acide 7-(4-fluorophényl)-7-[2-hydroxy-5-(méthoxyméthyl)-3,4,6-triméthylphényl]heptanoïque [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, ζ-(4-fluorophenyl)-2-hydroxy-5-(methoxymethyl)-3,4,6-trimethyl- [ACD/Index Name]
7-(4-Fluoro-phenyl)-7-(2-hydroxy-5-methoxymethyl-3,4,6-trimethyl-phenyl)-heptanoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL307298/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 564.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 295.2±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 112.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 906.96
ACD/KOC (pH 5.5): 2688.12
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 14.50
ACD/KOC (pH 7.4): 42.98
Polar Surface Area: 67 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 353.9±3.0 cm3

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