ChemSpider 2D Image | (1E,2R,3R)-1-Benzylidene-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)indane | C33H32O5

(1E,2R,3R)-1-Benzylidene-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)indane

  • Molecular FormulaC33H32O5
  • Average mass508.604 Da
  • Monoisotopic mass508.224976 Da
  • ChemSpider ID30822696

  • 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)-1-Benzyliden-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)indan [German] [ACD/IUPAC Name]
(1E,2R,3R)-1-Benzylidene-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)indane [ACD/IUPAC Name]
(1E,2R,3R)-1-Benzylidène-2-(3,5-diméthoxyphényl)-4,6-diméthoxy-3-(4-méthoxyphényl)indane [French] [ACD/IUPAC Name]
1H-Indene, 2-(3,5-dimethoxyphenyl)-2,3-dihydro-4,6-dimethoxy-3-(4-methoxyphenyl)-1-(phenylmethylene)-, (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: 614.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 236.0±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: 8.27
ACD/LogD (pH 5.5): 7.41
ACD/BCF (pH 5.5): 253904.41
ACD/KOC (pH 5.5): 257180.36
ACD/LogD (pH 7.4): 7.41
ACD/BCF (pH 7.4): 253904.41
ACD/KOC (pH 7.4): 257180.36
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

Click to predict properties on the Chemicalize site


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