ChemSpider 2D Image | 5-{[(2Z)-4-Hydroxy-3-methyl-2-buten-1-yl]oxy}-7-methoxy-6-methyl-2-benzofuran-1(3H)-one | C15H18O5

5-{[(2Z)-4-Hydroxy-3-methyl-2-buten-1-yl]oxy}-7-methoxy-6-methyl-2-benzofuran-1(3H)-one

  • Molecular FormulaC15H18O5
  • Average mass278.300 Da
  • Monoisotopic mass278.115417 Da
  • ChemSpider ID78435627

  • Double-bond stereo - Double-bond stereo

More details:

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

1(3H)-Isobenzofuranone, 5-[[(2Z)-4-hydroxy-3-methyl-2-buten-1-yl]oxy]-7-methoxy-6-methyl- [ACD/Index Name]
5-{[(2Z)-4-Hydroxy-3-methyl-2-buten-1-yl]oxy}-7-methoxy-6-methyl-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
5-{[(2Z)-4-Hydroxy-3-methyl-2-buten-1-yl]oxy}-7-methoxy-6-methyl-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
5-{[(2Z)-4-Hydroxy-3-méthyl-2-butén-1-yl]oxy}-7-méthoxy-6-méthyl-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
(2')-(Z)-5-(3'-hydroxymethyl-3'-methylallyloxy)-7-methoxy-6-methylphthalide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 507.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 191.1±23.6 °C
Index of Refraction: 1.562
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.59
ACD/KOC (pH 5.5): 421.36
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.59
ACD/KOC (pH 7.4): 421.36
Polar Surface Area: 65 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 227.3±3.0 cm3

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