ChemSpider 2D Image | 3-[3''-Benzyl-4''-(carboxymethoxy)-2,3',5'-trimethyl-1,1':4',1''-terphenyl-4-yl]propanoic acid | C33H32O5

3-[3''-Benzyl-4''-(carboxymethoxy)-2,3',5'-trimethyl-1,1':4',1''-terphenyl-4-yl]propanoic acid

  • Molecular FormulaC33H32O5
  • Average mass508.604 Da
  • Monoisotopic mass508.224976 Da
  • ChemSpider ID9481735

More details:

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

[1,1':4',1''-Terphenyl]-4-propanoic acid, 4''-(carboxymethoxy)-2,3',5'-trimethyl-3''-(phenylmethyl)- [ACD/Index Name]
3-[3''-Benzyl-4''-(carboxymethoxy)-2,3',5'-trimethyl-1,1':4',1''-terphenyl-4-yl]propanoic acid [ACD/IUPAC Name]
3-[3''-Benzyl-4''-(carboxymethoxy)-2,3',5'-trimethyl-1,1':4',1''-terphenyl-4-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[3''-benzyl-4''-(carboxyméthoxy)-2,3',5'-triméthyl-1,1':4',1''-terphényl-4-yl]propanoïque [French] [ACD/IUPAC Name]
terphenyl scaffold, 20

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

Density: 1.2±0.1 g/cm3
Boiling Point: 661.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 211.3±25.0 °C
Index of Refraction: 1.608
Molar Refractivity: 147.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.65
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 81.71
ACD/KOC (pH 5.5): 102.31
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 2.74
Polar Surface Area: 84 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 427.3±3.0 cm3

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