ChemSpider 2D Image | 3-(2,3-Dimethoxy-5-methylphenyl)-3,5-dihydroxy-7-methoxy-2-benzofuran-1(3H)-one | C18H18O7

3-(2,3-Dimethoxy-5-methylphenyl)-3,5-dihydroxy-7-methoxy-2-benzofuran-1(3H)-one

  • Molecular FormulaC18H18O7
  • Average mass346.331 Da
  • Monoisotopic mass346.105255 Da
  • ChemSpider ID78435239

More details:

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

1(3H)-Isobenzofuranone, 3-(2,3-dimethoxy-5-methylphenyl)-3,5-dihydroxy-7-methoxy- [ACD/Index Name]
3-(2,3-Dimethoxy-5-methylphenyl)-3,5-dihydroxy-7-methoxy-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
3-(2,3-Dimethoxy-5-methylphenyl)-3,5-dihydroxy-7-methoxy-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
3-(2,3-Diméthoxy-5-méthylphényl)-3,5-dihydroxy-7-méthoxy-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
Daldinolide A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 632.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 232.9±25.0 °C
Index of Refraction: 1.616
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.38
ACD/KOC (pH 5.5): 320.92
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 11.50
ACD/KOC (pH 7.4): 164.83
Polar Surface Area: 94 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 252.4±3.0 cm3

Click to predict properties on the Chemicalize site


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