ChemSpider 2D Image | 4-[(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol | C20H24O4

4-[(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol

  • Molecular FormulaC20H24O4
  • Average mass328.402 Da
  • Monoisotopic mass328.167450 Da
  • ChemSpider ID48059254

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-[(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol [German] [ACD/IUPAC Name]
4-[(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol [ACD/IUPAC Name]
4-[(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-diméthylbutyl]-2-méthoxyphénol [French] [ACD/IUPAC Name]
Phenol, 4-[(2R,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxy- [ACD/Index Name]
130008-79-6 [RN]
4-(trans-4-(Benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol
55890-24-9 [RN]
rel-4-[(2r,3r)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 467.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 236.2±27.3 °C
Index of Refraction: 1.574
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1631.94
ACD/KOC (pH 5.5): 6938.24
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1629.36
ACD/KOC (pH 7.4): 6927.25
Polar Surface Area: 48 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 283.3±3.0 cm3

Click to predict properties on the Chemicalize site


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