ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)-5,7-dimethyl-4-oxo-4H-chromen-3-yl 4-(4-methoxyphenoxy)butanoate | C30H30O8

2-(3,4-Dimethoxyphenyl)-5,7-dimethyl-4-oxo-4H-chromen-3-yl 4-(4-methoxyphenoxy)butanoate

  • Molecular FormulaC30H30O8
  • Average mass518.554 Da
  • Monoisotopic mass518.194092 Da
  • ChemSpider ID1314194

More details:






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

2-(3,4-Dimethoxyphenyl)-5,7-dimethyl-4-oxo-4H-chromen-3-yl 4-(4-methoxyphenoxy)butanoate [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-5,7-dimethyl-4-oxo-4H-chromen-3-yl-4-(4-methoxyphenoxy)butanoat [German] [ACD/IUPAC Name]
4-(4-Méthoxyphénoxy)butanoate de 2-(3,4-diméthoxyphényl)-5,7-diméthyl-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Butanoic acid, 4-(4-methoxyphenoxy)-, 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxo-4H-1-benzopyran-3-yl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 680.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 286.9±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6202.61
ACD/KOC (pH 5.5): 18043.33
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6202.61
ACD/KOC (pH 7.4): 18043.33
Polar Surface Area: 90 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 405.8±5.0 cm3

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