ChemSpider 2D Image | 2-{3-Hydroxy-4-[(2R)-2-methoxy-6-methyl-2-heptanyl]benzyl}-5-(3-hydroxy-5-methylphenoxy)-3-methylphenol | C30H38O5

2-{3-Hydroxy-4-[(2R)-2-methoxy-6-methyl-2-heptanyl]benzyl}-5-(3-hydroxy-5-methylphenoxy)-3-methylphenol

  • Molecular FormulaC30H38O5
  • Average mass478.620 Da
  • Monoisotopic mass478.271912 Da
  • ChemSpider ID24669120

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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2-{3-Hydroxy-4-[(2R)-2-methoxy-6-methyl-2-heptanyl]benzyl}-5-(3-hydroxy-5-methylphenoxy)-3-methylphenol [German] [ACD/IUPAC Name]
2-{3-Hydroxy-4-[(2R)-2-methoxy-6-methyl-2-heptanyl]benzyl}-5-(3-hydroxy-5-methylphenoxy)-3-methylphenol [ACD/IUPAC Name]
2-{3-Hydroxy-4-[(2R)-2-méthoxy-6-méthyl-2-heptanyl]benzyl}-5-(3-hydroxy-5-méthylphénoxy)-3-méthylphénol [French] [ACD/IUPAC Name]
Phenol, 2-[[3-hydroxy-4-[(1R)-1-methoxy-1,5-dimethylhexyl]phenyl]methyl]-5-(3-hydroxy-5-methylphenoxy)-3-methyl- [ACD/Index Name]
EXPANSOL A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 616.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 326.8±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 140.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.17
ACD/LogD (pH 5.5): 7.50
ACD/BCF (pH 5.5): 296114.63
ACD/KOC (pH 5.5): 287091.41
ACD/LogD (pH 7.4): 7.49
ACD/BCF (pH 7.4): 291509.06
ACD/KOC (pH 7.4): 282626.19
Polar Surface Area: 79 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 423.2±3.0 cm3

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