ChemSpider 2D Image | (2E)-1-{2,4-Dihydroxy-3-[(1S,2E)-1-(4-hydroxyphenyl)-2-dodecen-1-yl]-6-methoxyphenyl}-3-(4-hydroxyphenyl)-2-propen-1-one | C34H40O6

(2E)-1-{2,4-Dihydroxy-3-[(1S,2E)-1-(4-hydroxyphenyl)-2-dodecen-1-yl]-6-methoxyphenyl}-3-(4-hydroxyphenyl)-2-propen-1-one

  • Molecular FormulaC34H40O6
  • Average mass544.678 Da
  • Monoisotopic mass544.282471 Da
  • ChemSpider ID95532444

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-1-{2,4-Dihydroxy-3-[(1S,2E)-1-(4-hydroxyphenyl)-2-dodecen-1-yl]-6-methoxyphenyl}-3-(4-hydroxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-{2,4-Dihydroxy-3-[(1S,2E)-1-(4-hydroxyphenyl)-2-dodecen-1-yl]-6-methoxyphenyl}-3-(4-hydroxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-{2,4-Dihydroxy-3-[(1S,2E)-1-(4-hydroxyphényl)-2-dodécén-1-yl]-6-méthoxyphényl}-3-(4-hydroxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[2,4-dihydroxy-3-[(1S,2E)-1-(4-hydroxyphenyl)-2-dodecen-1-yl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)-, (2E)- [ACD/Index Name]
Galanganone B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 741.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 234.0±26.4 °C
Index of Refraction: 1.616
Molar Refractivity: 161.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 9.48
ACD/LogD (pH 5.5): 9.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3323458.25
ACD/LogD (pH 7.4): 8.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 575996.50
Polar Surface Area: 107 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 462.9±3.0 cm3

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