ChemSpider 2D Image | 1-[4-(2-Ethoxyphenyl)-1-piperazinyl]-3-[(14-isopropylpodocarpa-8,11,13-trien-13-yl)oxy]-2-propanol | C35H52N2O3

1-[4-(2-Ethoxyphenyl)-1-piperazinyl]-3-[(14-isopropylpodocarpa-8,11,13-trien-13-yl)oxy]-2-propanol

  • Molecular FormulaC35H52N2O3
  • Average mass548.799 Da
  • Monoisotopic mass548.397766 Da
  • ChemSpider ID28431142

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-[4-(2-Ethoxyphenyl)-1-piperazinyl]-3-[(14-isopropylpodocarpa-8,11,13-trien-13-yl)oxy]-2-propanol [ACD/IUPAC Name]
1-[4-(2-Ethoxyphenyl)-1-piperazinyl]-3-[(14-isopropylpodocarpa-8,11,13-trien-13-yl)oxy]-2-propanol [German] [ACD/IUPAC Name]
1-[4-(2-Éthoxyphényl)-1-pipérazinyl]-3-[(14-isopropylpodocarpa-8,11,13-trién-13-yl)oxy]-2-propanol [French] [ACD/IUPAC Name]
1-Piperazineethanol, 4-(2-ethoxyphenyl)-α-[[[(4bS,8aS)-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-2-phenanthrenyl]oxy]methyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 667.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 357.4±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 164.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.20
ACD/LogD (pH 5.5): 6.84
ACD/BCF (pH 5.5): 35959.27
ACD/KOC (pH 5.5): 20675.06
ACD/LogD (pH 7.4): 8.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 617188.25
Polar Surface Area: 45 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 515.7±3.0 cm3

Click to predict properties on the Chemicalize site


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