ChemSpider 2D Image | 1-{2,6-Dihydroxy-3-[(1R,6R)-6-isopropyl-3-methyl-2-cyclohexen-1-yl]-4-methoxyphenyl}-3-phenyl-1-propanone | C26H32O4

1-{2,6-Dihydroxy-3-[(1R,6R)-6-isopropyl-3-methyl-2-cyclohexen-1-yl]-4-methoxyphenyl}-3-phenyl-1-propanone

  • Molecular FormulaC26H32O4
  • Average mass408.530 Da
  • Monoisotopic mass408.230072 Da
  • ChemSpider ID24958880

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-{2,6-Dihydroxy-3-[(1R,6R)-6-isopropyl-3-methyl-2-cyclohexen-1-yl]-4-methoxyphenyl}-3-phenyl-1-propanon [German] [ACD/IUPAC Name]
1-{2,6-Dihydroxy-3-[(1R,6R)-6-isopropyl-3-methyl-2-cyclohexen-1-yl]-4-methoxyphenyl}-3-phenyl-1-propanone [ACD/IUPAC Name]
1-{2,6-Dihydroxy-3-[(1R,6R)-6-isopropyl-3-méthyl-2-cyclohexén-1-yl]-4-méthoxyphényl}-3-phényl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[2,6-dihydroxy-4-methoxy-3-[(1R,6R)-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]phenyl]-3-phenyl- [ACD/Index Name]
Methyllinderatin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 537.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 175.4±23.6 °C
Index of Refraction: 1.573
Molar Refractivity: 119.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.82
ACD/LogD (pH 5.5): 6.96
ACD/BCF (pH 5.5): 114811.44
ACD/KOC (pH 5.5): 144673.02
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 37305.39
ACD/KOC (pH 7.4): 47008.24
Polar Surface Area: 67 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 363.6±3.0 cm3

Click to predict properties on the Chemicalize site


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