ChemSpider 2D Image | 2-[3,5-Dibromo-4-(4-hydroxy-3-{hydroxy[(2-phenylethyl)amino]methyl}phenoxy)phenyl]-1,1-ethanediol | C23H23Br2NO5

2-[3,5-Dibromo-4-(4-hydroxy-3-{hydroxy[(2-phenylethyl)amino]methyl}phenoxy)phenyl]-1,1-ethanediol

  • Molecular FormulaC23H23Br2NO5
  • Average mass553.240 Da
  • Monoisotopic mass550.994263 Da
  • ChemSpider ID4449873

More details:

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

1,1-Ethanediol, 2-[3,5-dibromo-4-[4-hydroxy-3-[hydroxy[(2-phenylethyl)amino]methyl]phenoxy]phenyl]- [ACD/Index Name]
2-[3,5-Dibrom-4-(4-hydroxy-3-{hydroxy[(2-phenylethyl)amino]methyl}phenoxy)phenyl]-1,1-ethandiol [German] [ACD/IUPAC Name]
2-[3,5-Dibromo-4-(4-hydroxy-3-{hydroxy[(2-phenylethyl)amino]methyl}phenoxy)phenyl]-1,1-ethanediol [ACD/IUPAC Name]
2-[3,5-Dibromo-4-(4-hydroxy-3-{hydroxy[(2-phényléthyl)amino]méthyl}phénoxy)phényl]-1,1-éthanediol [French] [ACD/IUPAC Name]
2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL
[3,5-DIBROMO-4-(4-HYDROXY-3-PHENETHYLCARBAMOYL-PHENOXY)-PHENYL]-ACETIC ACID

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

Density: 1.6±0.1 g/cm3
Boiling Point: 644.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.3±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 126.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 17.29
ACD/KOC (pH 5.5): 140.86
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 147.06
ACD/KOC (pH 7.4): 1198.03
Polar Surface Area: 102 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 336.1±3.0 cm3

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