ChemSpider 2D Image | 5-[3-[(1R,2R,4S)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro-2(1H)-pyrimidinone | C18H24N2O3

5-[3-[(1R,2R,4S)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro-2(1H)-pyrimidinone

  • Molecular FormulaC18H24N2O3
  • Average mass316.395 Da
  • Monoisotopic mass316.178680 Da
  • ChemSpider ID32821974

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

135637-47-7 [RN]
2(1H)-Pyrimidinone, 5-[3-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro- [ACD/Index Name]
5-[3-[(1R,2R,4S)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro-2(1H)-pyrimidinone
5-{3-[(1R,2R,4S)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydro-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
5-{3-[(1R,2R,4S)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydro-2(1H)-pyrimidinone [ACD/IUPAC Name]
5-{3-[(1R,2R,4S)-Bicyclo[2.2.1]hept-2-yloxy]-4-méthoxyphényl}tétrahydro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
115898-30-1 [RN]
135637-46-6 [RN]
5-(3-((1R,2R,4S)-bicyclo[2.2.1]heptan-2-yloxy)-4-methoxyphenyl)tetrahydropyrimidin-2(1H)-one
5-[3-[[(1R,2R,4S)-2-Bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 543.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.2±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 86.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.38
ACD/KOC (pH 5.5): 473.68
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.38
ACD/KOC (pH 7.4): 473.68
Polar Surface Area: 60 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 268.5±3.0 cm3

Click to predict properties on the Chemicalize site


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