ChemSpider 2D Image | 3-[4-(4-Hydroxy-3-isopropylphenoxy)-3,5-diiodophenyl]-2-imino-1,1-propanediol | C18H19I2NO4

3-[4-(4-Hydroxy-3-isopropylphenoxy)-3,5-diiodophenyl]-2-imino-1,1-propanediol

  • Molecular FormulaC18H19I2NO4
  • Average mass567.157 Da
  • Monoisotopic mass566.940308 Da
  • ChemSpider ID95785347

More details:

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

1,1-Propanediol, 3-[4-[4-hydroxy-3-(1-methylethyl)phenoxy]-3,5-diiodophenyl]-2-imino- [ACD/Index Name]
3-[4-(4-Hydroxy-3-isopropylphenoxy)-3,5-diiodophenyl]-2-imino-1,1-propanediol [ACD/IUPAC Name]
3-[4-(4-Hydroxy-3-isopropylphénoxy)-3,5-diiodophényl]-2-imino-1,1-propanediol [French] [ACD/IUPAC Name]
3-[4-(4-Hydroxy-3-isopropylphenoxy)-3,5-diiodphenyl]-2-imino-1,1-propandiol [German] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 592.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 312.3±30.1 °C
Index of Refraction: 1.681
Molar Refractivity: 111.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 9.95
ACD/KOC (pH 5.5): 77.21
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 151.81
ACD/KOC (pH 7.4): 1177.83
Polar Surface Area: 94 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 293.9±7.0 cm3

Click to predict properties on the Chemicalize site


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