ChemSpider 2D Image | 2-(2-Biphenylyl)-3-hydroxy-2-[4-(methylsulfanyl)benzyl]propanoic acid | C23H22O3S

2-(2-Biphenylyl)-3-hydroxy-2-[4-(methylsulfanyl)benzyl]propanoic acid

  • Molecular FormulaC23H22O3S
  • Average mass378.484 Da
  • Monoisotopic mass378.128967 Da
  • ChemSpider ID28680697

More details:






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

2-(2-Biphenylyl)-3-hydroxy-2-[4-(methylsulfanyl)benzyl]propanoic acid [ACD/IUPAC Name]
2-(2-Biphenylyl)-3-hydroxy-2-[4-(methylsulfanyl)benzyl]propansäure [German] [ACD/IUPAC Name]
Acide 2-(2-biphénylyl)-3-hydroxy-2-[4-(méthylsulfanyl)benzyl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[1,1'-biphenyl]-2-yl-α-(hydroxymethyl)-4-(methylthio)- [ACD/Index Name]
[1,1'-Biphenyl]-4-aceticacid, a-[(R)-hydroxy[4-(methylthio)phenyl]methyl]-,(aR)-rel-
141857-29-6 [RN]
4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 575.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 302.0±30.1 °C
Index of Refraction: 1.668
Molar Refractivity: 110.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 49.38
ACD/KOC (pH 5.5): 171.23
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 4.22
Polar Surface Area: 83 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 296.6±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement