ChemSpider 2D Image | [(2S,3R)-2-(3,5-Dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl](4-fluorophenyl)methanol | C33H33FO6

[(2S,3R)-2-(3,5-Dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl](4-fluorophenyl)methanol

  • Molecular FormulaC33H33FO6
  • Average mass544.610 Da
  • Monoisotopic mass544.226135 Da
  • ChemSpider ID30822889

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

[(2S,3R)-2-(3,5-Dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl](4-fluorophenyl)methanol [ACD/IUPAC Name]
[(2S,3R)-2-(3,5-Diméthoxyphényl)-4,6-diméthoxy-3-(4-méthoxyphényl)-2,3-dihydro-1H-indén-1-yl](4-fluorophényl)méthanol [French] [ACD/IUPAC Name]
[(2S,3R)-2-(3,5-Dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl](4-fluorphenyl)methanol [German] [ACD/IUPAC Name]
1H-Indene-1-methanol, 2-(3,5-dimethoxyphenyl)-α-(4-fluorophenyl)-2,3-dihydro-4,6-dimethoxy-3-(4-methoxyphenyl)-, (2S,3R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 634.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 261.6±28.0 °C
Index of Refraction: 1.592
Molar Refractivity: 151.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 43923.20
ACD/KOC (pH 5.5): 73252.57
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 43923.20
ACD/KOC (pH 7.4): 73252.57
Polar Surface Area: 66 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 447.7±3.0 cm3

Click to predict properties on the Chemicalize site


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