ChemSpider 2D Image | 5-({[4-(2,3-Butadien-1-yloxy)benzyl]oxy}methyl)-2-isopropenyl-2,3-dihydro-1-benzofuran | C23H24O3

5-({[4-(2,3-Butadien-1-yloxy)benzyl]oxy}methyl)-2-isopropenyl-2,3-dihydro-1-benzofuran

  • Molecular FormulaC23H24O3
  • Average mass348.435 Da
  • Monoisotopic mass348.172546 Da
  • ChemSpider ID24703341

More details:

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

5-({[4-(2,3-Butadien-1-yloxy)benzyl]oxy}methyl)-2-isopropenyl-2,3-dihydro-1-benzofuran [German] [ACD/IUPAC Name]
5-({[4-(2,3-Butadien-1-yloxy)benzyl]oxy}methyl)-2-isopropenyl-2,3-dihydro-1-benzofuran [ACD/IUPAC Name]
5-({[4-(2,3-Butadién-1-yloxy)benzyl]oxy}méthyl)-2-isopropényl-2,3-dihydro-1-benzofurane [French] [ACD/IUPAC Name]
Benzofuran, 5-[[[4-(2,3-butadien-1-yloxy)phenyl]methoxy]methyl]-2,3-dihydro-2-(1-methylethenyl)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL485879/
XYLOALLENOLIDE B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 481.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 165.2±26.0 °C
Index of Refraction: 1.564
Molar Refractivity: 104.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 9220.07
ACD/KOC (pH 5.5): 23963.30
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9220.07
ACD/KOC (pH 7.4): 23963.30
Polar Surface Area: 28 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 322.2±3.0 cm3

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