ChemSpider 2D Image | 3-[6-(2-Methoxyphenyl)thieno[2,3-f][1,3]benzodioxol-7-yl]-2-propyn-1-ol | C19H14O4S

3-[6-(2-Methoxyphenyl)thieno[2,3-f][1,3]benzodioxol-7-yl]-2-propyn-1-ol

  • Molecular FormulaC19H14O4S
  • Average mass338.377 Da
  • Monoisotopic mass338.061279 Da
  • ChemSpider ID26357785

More details:

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

2-Propyn-1-ol, 3-[6-(2-methoxyphenyl)thieno[2,3-f]-1,3-benzodioxol-7-yl]- [ACD/Index Name]
3-[6-(2-Methoxyphenyl)thieno[2,3-f][1,3]benzodioxol-7-yl]-2-propin-1-ol [German] [ACD/IUPAC Name]
3-[6-(2-Methoxyphenyl)thieno[2,3-f][1,3]benzodioxol-7-yl]-2-propyn-1-ol [ACD/IUPAC Name]
3-[6-(2-Méthoxyphényl)thiéno[2,3-f][1,3]benzodioxol-7-yl]-2-propyn-1-ol [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 526.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.5±30.1 °C
Index of Refraction: 1.725
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 697.94
ACD/KOC (pH 5.5): 3777.52
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 697.94
ACD/KOC (pH 7.4): 3777.51
Polar Surface Area: 76 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 234.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement