ChemSpider 2D Image | (5R)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone | C21H34O4

(5R)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone

  • Molecular FormulaC21H34O4
  • Average mass350.492 Da
  • Monoisotopic mass350.245697 Da
  • ChemSpider ID22913204
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5R)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanon [German] [ACD/IUPAC Name]
(5R)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone [ACD/IUPAC Name]
(5R)-5-Hydroxy-1-(4-hydroxy-3-méthoxyphényl)-3-tétradécanone [French] [ACD/IUPAC Name]
3-Tetradecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 499.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 166.4±19.4 °C
Index of Refraction: 1.513
Molar Refractivity: 101.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4832.72
ACD/KOC (pH 5.5): 15091.53
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4821.27
ACD/KOC (pH 7.4): 15055.80
Polar Surface Area: 67 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 337.8±3.0 cm3

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