ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-6-[(2,2-dimethyl-6-methylenecyclohexyl)methyl]-5-hydroxy-7-methoxy-4H-chromen-4-one | C26H28O6

2-(3,4-Dihydroxyphenyl)-6-[(2,2-dimethyl-6-methylenecyclohexyl)methyl]-5-hydroxy-7-methoxy-4H-chromen-4-one

  • Molecular FormulaC26H28O6
  • Average mass436.497 Da
  • Monoisotopic mass436.188599 Da
  • ChemSpider ID24628328
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-(3,4-Dihydroxyphenyl)-6-[(2,2-dimethyl-6-methylencyclohexyl)methyl]-5-hydroxy-7-methoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-6-[(2,2-dimethyl-6-methylenecyclohexyl)methyl]-5-hydroxy-7-methoxy-4H-chromen-4-one [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-6-[(2,2-diméthyl-6-méthylènecyclohexyl)méthyl]-5-hydroxy-7-méthoxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-[(2,2-dimethyl-6-methylenecyclohexyl)methyl]-5-hydroxy-7-methoxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 648.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 220.1±25.0 °C
Index of Refraction: 1.649
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 20717.53
ACD/KOC (pH 5.5): 41532.46
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 2372.21
ACD/KOC (pH 7.4): 4755.58
Polar Surface Area: 96 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 328.2±5.0 cm3

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