ChemSpider 2D Image | 2-[(1E)-1-{4-Hydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)propyl]-2-methoxyphenyl}-3-(4-hydroxy-3-methoxyphenyl)-1-propen-1-yl]-5-methoxy-1,4-benzenediol | C34H36O9

2-[(1E)-1-{4-Hydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)propyl]-2-methoxyphenyl}-3-(4-hydroxy-3-methoxyphenyl)-1-propen-1-yl]-5-methoxy-1,4-benzenediol

  • Molecular FormulaC34H36O9
  • Average mass588.644 Da
  • Monoisotopic mass588.235962 Da
  • ChemSpider ID128949580

  • Double-bond stereo - Double-bond stereo

More details:

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

1,4-Benzenediol, 2-[(1E)-1-[4-hydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)propyl]-2-methoxyphenyl]-3-(4-hydroxy-3-methoxyphenyl)-1-propen-1-yl]-5-methoxy- [ACD/Index Name]
2-[(1E)-1-{4-Hydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)propyl]-2-methoxyphenyl}-3-(4-hydroxy-3-methoxyphenyl)-1-propen-1-yl]-5-methoxy-1,4-benzenediol [ACD/IUPAC Name]
2-[(1E)-1-{4-Hydroxy-5-[3-(4-hydroxy-3-méthoxyphényl)propyl]-2-méthoxyphényl}-3-(4-hydroxy-3-méthoxyphényl)-1-propén-1-yl]-5-méthoxy-1,4-benzènediol [French] [ACD/IUPAC Name]
2-[(1E)-1-{4-Hydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)propyl]-2-methoxyphenyl}-3-(4-hydroxy-3-methoxyphenyl)-1-propen-1-yl]-5-methoxy-1,4-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 808.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 442.8±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 164.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8368.16
ACD/KOC (pH 5.5): 22356.04
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8294.04
ACD/KOC (pH 7.4): 22158.00
Polar Surface Area: 138 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 455.7±3.0 cm3

Click to predict properties on the Chemicalize site


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