ChemSpider 2D Image | (3R)-3-Hydroxy-4-[(1R)-4-hydroxy-7-(3-methyl-2-buten-1-yl)-1,3-dihydro-2-benzofuran-1-yl]-2-butanone | C17H22O4

(3R)-3-Hydroxy-4-[(1R)-4-hydroxy-7-(3-methyl-2-buten-1-yl)-1,3-dihydro-2-benzofuran-1-yl]-2-butanone

  • Molecular FormulaC17H22O4
  • Average mass290.354 Da
  • Monoisotopic mass290.151794 Da
  • ChemSpider ID40256757

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-3-Hydroxy-4-[(1R)-4-hydroxy-7-(3-methyl-2-buten-1-yl)-1,3-dihydro-2-benzofuran-1-yl]-2-butanon [German] [ACD/IUPAC Name]
(3R)-3-Hydroxy-4-[(1R)-4-hydroxy-7-(3-methyl-2-buten-1-yl)-1,3-dihydro-2-benzofuran-1-yl]-2-butanone [ACD/IUPAC Name]
(3R)-3-Hydroxy-4-[(1R)-4-hydroxy-7-(3-méthyl-2-butén-1-yl)-1,3-dihydro-2-benzofuran-1-yl]-2-butanone [French] [ACD/IUPAC Name]
2-Butanone, 4-[(1R)-1,3-dihydro-4-hydroxy-7-(3-methyl-2-buten-1-yl)-1-isobenzofuranyl]-3-hydroxy-, (3R)- [ACD/Index Name]
Vaccinol H

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

Density: 1.2±0.1 g/cm3
Boiling Point: 454.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 163.3±22.2 °C
Index of Refraction: 1.561
Molar Refractivity: 80.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.84
ACD/KOC (pH 5.5): 611.61
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.65
ACD/KOC (pH 7.4): 609.41
Polar Surface Area: 67 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 249.3±3.0 cm3

Click to predict properties on the Chemicalize site


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