ChemSpider 2D Image | 3-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxybenzyl)-2(5H)-furanone | C29H28O9

3-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxybenzyl)-2(5H)-furanone

  • Molecular FormulaC29H28O9
  • Average mass520.527 Da
  • Monoisotopic mass520.173340 Da
  • ChemSpider ID8991128

More details:

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

2(5H)-Furanone, 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxy-3-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]- [ACD/Index Name]
3-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxybenzyl)-2(5H)-furanon [German] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxybenzyl)-2(5H)-furanone [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-(4-méthoxy-3-méthylphényl)-4-(3,4,5-triméthoxybenzyl)-2(5H)-furanone [French] [ACD/IUPAC Name]
3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxybenzyl)furan-2(5H)-one
3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-3-methyl-phenyl)-4-(3,4,5-trimethoxy-benzyl)-5H-furan-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 721.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 239.6±26.4 °C
Index of Refraction: 1.618
Molar Refractivity: 137.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 152.29
ACD/KOC (pH 5.5): 1270.32
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.18
ACD/KOC (pH 7.4): 1236.04
Polar Surface Area: 102 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 391.1±3.0 cm3

Click to predict properties on the Chemicalize site


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