ChemSpider 2D Image | 1-(2-Hydroxy-4-isobutoxyphenyl)-3-(pyridin-2-yl)propan-1-one | C18H21NO3

1-(2-Hydroxy-4-isobutoxyphenyl)-3-(pyridin-2-yl)propan-1-one

  • Molecular FormulaC18H21NO3
  • Average mass299.364 Da
  • Monoisotopic mass299.152130 Da
  • ChemSpider ID26233874

More details:

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

1-(2-Hydroxy-4-isobutoxyphenyl)-3-(2-pyridinyl)-1-propanon [German] [ACD/IUPAC Name]
1-(2-Hydroxy-4-isobutoxyphenyl)-3-(2-pyridinyl)-1-propanone
1-(2-Hydroxy-4-isobutoxyphényl)-3-(2-pyridinyl)-1-propanone [French] [ACD/IUPAC Name]
1-(2-Hydroxy-4-isobutoxyphenyl)-3-(pyridin-2-yl)propan-1-one [ACD/IUPAC Name]
1-[2-Hydroxy-4-(2-methylpropoxy)phenyl]-3-(2-pyridinyl)-1-propanone
1190230-47-7 [RN]
1-Propanone, 1-[2-hydroxy-4-(2-methylpropoxy)phenyl]-3-(2-pyridinyl)- [ACD/Index Name]
21178982 [Beilstein]
T6NJ B2VR BQ DO1Y1&1 [WLN]
1-(2-Hydroxy-4-isobutoxyphenyl)-3-(2-pyridyl)propan-1-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 479.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 243.7±27.3 °C
Index of Refraction: 1.565
Molar Refractivity: 85.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 543.79
ACD/KOC (pH 5.5): 2812.73
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 441.52
ACD/KOC (pH 7.4): 2283.75
Polar Surface Area: 59 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 263.7±3.0 cm3

Click to predict properties on the Chemicalize site


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