ChemSpider 2D Image | 5-(Cyclohexylmethoxy)-3-{3-hydroxy-3-[4-(2-methyl-2-propanyl)phenyl]propyl}-4H-chromen-4-one | C29H36O4

5-(Cyclohexylmethoxy)-3-{3-hydroxy-3-[4-(2-methyl-2-propanyl)phenyl]propyl}-4H-chromen-4-one

  • Molecular FormulaC29H36O4
  • Average mass448.594 Da
  • Monoisotopic mass448.261353 Da
  • ChemSpider ID30816362

More details:






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

4H-1-Benzopyran-4-one, 5-(cyclohexylmethoxy)-3-[3-[4-(1,1-dimethylethyl)phenyl]-3-hydroxypropyl]- [ACD/Index Name]
5-(Cyclohexylmethoxy)-3-{3-hydroxy-3-[4-(2-methyl-2-propanyl)phenyl]propyl}-4H-chromen-4-on [German] [ACD/IUPAC Name]
5-(Cyclohexylmethoxy)-3-{3-hydroxy-3-[4-(2-methyl-2-propanyl)phenyl]propyl}-4H-chromen-4-one [ACD/IUPAC Name]
5-(Cyclohexylméthoxy)-3-{3-hydroxy-3-[4-(2-méthyl-2-propanyl)phényl]propyl}-4H-chromén-4-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 610.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 198.3±25.0 °C
Index of Refraction: 1.564
Molar Refractivity: 130.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 80712.17
ACD/KOC (pH 5.5): 113231.30
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 80712.17
ACD/KOC (pH 7.4): 113231.30
Polar Surface Area: 56 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 401.3±3.0 cm3

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