ChemSpider 2D Image | (2R)-2-(2-Hydroxy-2-propanyl)-6-(3-methyl-3-buten-1-yn-1-yl)-2,3-dihydro-1-benzofuran-5-ol | C16H18O3

(2R)-2-(2-Hydroxy-2-propanyl)-6-(3-methyl-3-buten-1-yn-1-yl)-2,3-dihydro-1-benzofuran-5-ol

  • Molecular FormulaC16H18O3
  • Average mass258.312 Da
  • Monoisotopic mass258.125580 Da
  • ChemSpider ID35516909

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(2-Hydroxy-2-propanyl)-6-(3-methyl-3-buten-1-in-1-yl)-2,3-dihydro-1-benzofuran-5-ol [German] [ACD/IUPAC Name]
(2R)-2-(2-Hydroxy-2-propanyl)-6-(3-methyl-3-buten-1-yn-1-yl)-2,3-dihydro-1-benzofuran-5-ol [ACD/IUPAC Name]
(2R)-2-(2-Hydroxy-2-propanyl)-6-(3-méthyl-3-butén-1-yn-1-yl)-2,3-dihydro-1-benzofuran-5-ol [French] [ACD/IUPAC Name]
2-Benzofuranmethanol, 2,3-dihydro-5-hydroxy-α,α-dimethyl-6-(3-methyl-3-buten-1-yn-1-yl)-, (2R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 413.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 203.6±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 73.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 120.30
ACD/KOC (pH 5.5): 1073.11
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.18
ACD/KOC (pH 7.4): 1063.18
Polar Surface Area: 50 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 214.6±5.0 cm3

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