ChemSpider 2D Image | 3,3'-{(3,4-Dimethyltetrahydrofuran-2,5-diyl)bis[(2-methoxy-4,1-phenylene)oxy]}bis[1-(3,4-dimethoxyphenyl)-1-propanol] | C42H52O11

3,3'-{(3,4-Dimethyltetrahydrofuran-2,5-diyl)bis[(2-methoxy-4,1-phenylene)oxy]}bis[1-(3,4-dimethoxyphenyl)-1-propanol]

  • Molecular FormulaC42H52O11
  • Average mass732.856 Da
  • Monoisotopic mass732.350952 Da
  • ChemSpider ID128703

More details:






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

3,3'-{(3,4-Dimethyltetrahydrofuran-2,5-diyl)bis[(2-methoxy-4,1-phenylen)oxy]}bis[1-(3,4-dimethoxyphenyl)-1-propanol] [German] [ACD/IUPAC Name]
3,3'-{(3,4-Dimethyltetrahydrofuran-2,5-diyl)bis[(2-methoxy-4,1-phenylene)oxy]}bis[1-(3,4-dimethoxyphenyl)-1-propanol] [ACD/IUPAC Name]
3,3'-{(3,4-Diméthyltétrahydrofurane-2,5-diyl)bis[(2-méthoxy-4,1-phénylène)oxy]}bis[1-(3,4-diméthoxyphényl)-1-propanol] [French] [ACD/IUPAC Name]
Benzenemethanol, α,α'-[(tetrahydro-3,4-dimethyl-2,5-furandiyl)bis[(2-methoxy-4,1-phenylene)oxy-2,1-ethanediyl]]bis[3,4-dimethoxy- [ACD/Index Name]
1-(3,4-DIMETHOXYPHENYL)-3-[4-(5-{4-[3-(3,4-DIMETHOXYPHENYL)-3-HYDROXYPROPOXY]-3-METHOXYPHENYL}-3,4-DIMETHYLOXOLAN-2-YL)-2-METHOXYPHENOXY]PROPAN-1-OL

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

BRN 4640385 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 840.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 461.8±34.3 °C
Index of Refraction: 1.562
Molar Refractivity: 202.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8621.12
ACD/KOC (pH 5.5): 22838.44
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8621.11
ACD/KOC (pH 7.4): 22838.41
Polar Surface Area: 124 Å2
Polarizability: 80.2±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 624.1±3.0 cm3

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