ChemSpider 2D Image | (1E,2R,3R)-2-(3,5-Dimethoxyphenyl)-4,6-dimethoxy-1-(4-methoxybenzylidene)-3-phenylindane | C33H32O5

(1E,2R,3R)-2-(3,5-Dimethoxyphenyl)-4,6-dimethoxy-1-(4-methoxybenzylidene)-3-phenylindane

  • Molecular FormulaC33H32O5
  • Average mass508.604 Da
  • Monoisotopic mass508.224976 Da
  • ChemSpider ID29416965

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1E,2R,3R)-2-(3,5-Dimethoxyphenyl)-4,6-dimethoxy-1-(4-methoxybenzyliden)-3-phenylindan [German] [ACD/IUPAC Name]
(1E,2R,3R)-2-(3,5-Dimethoxyphenyl)-4,6-dimethoxy-1-(4-methoxybenzylidene)-3-phenylindane [ACD/IUPAC Name]
(1E,2R,3R)-2-(3,5-Diméthoxyphényl)-4,6-diméthoxy-1-(4-méthoxybenzylidène)-3-phénylindane [French] [ACD/IUPAC Name]
1H-Indene, 2-(3,5-dimethoxyphenyl)-2,3-dihydro-4,6-dimethoxy-1-[(4-methoxyphenyl)methylene]-3-phenyl-, (1E,2R,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: 622.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 239.6±31.4 °C
Index of Refraction: 1.613
Molar Refractivity: 151.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.30
ACD/LogD (pH 5.5): 7.43
ACD/BCF (pH 5.5): 260301.00
ACD/KOC (pH 5.5): 261801.47
ACD/LogD (pH 7.4): 7.43
ACD/BCF (pH 7.4): 260301.00
ACD/KOC (pH 7.4): 261801.47
Polar Surface Area: 46 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 434.7±3.0 cm3

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