ChemSpider 2D Image | [3-(4-{[2',6'-Dimethyl-4'-(tetrahydro-3-furanylmethoxy)-3-biphenylyl]methoxy}phenyl)-3-oxetanyl]acetic acid | C31H34O6

[3-(4-{[2',6'-Dimethyl-4'-(tetrahydro-3-furanylmethoxy)-3-biphenylyl]methoxy}phenyl)-3-oxetanyl]acetic acid

  • Molecular FormulaC31H34O6
  • Average mass502.598 Da
  • Monoisotopic mass502.235535 Da
  • ChemSpider ID76730738

More details:

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

[3-(4-{[2',6'-Dimethyl-4'-(tetrahydro-3-furanylmethoxy)-3-biphenylyl]methoxy}phenyl)-3-oxetanyl]acetic acid [ACD/IUPAC Name]
[3-(4-{[2',6'-Dimethyl-4'-(tetrahydro-3-furanylmethoxy)-3-biphenylyl]methoxy}phenyl)-3-oxetanyl]essigsäure [German] [ACD/IUPAC Name]
3-Oxetaneacetic acid, 3-[4-[[2',6'-dimethyl-4'-[(tetrahydro-3-furanyl)methoxy][1,1'-biphenyl]-3-yl]methoxy]phenyl]- [ACD/Index Name]
Acide [3-(4-{[2',6'-diméthyl-4'-(tétrahydro-3-furanylméthoxy)-3-biphénylyl]méthoxy}phényl)-3-oxétanyl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 675.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 219.4±25.0 °C
Index of Refraction: 1.587
Molar Refractivity: 140.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 255.51
ACD/KOC (pH 5.5): 898.33
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 4.05
ACD/KOC (pH 7.4): 14.24
Polar Surface Area: 74 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 419.2±3.0 cm3

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