ChemSpider 2D Image | (R)-5-hydroxypropafenone | C21H27NO4

(R)-5-hydroxypropafenone

  • Molecular FormulaC21H27NO4
  • Average mass357.443 Da
  • Monoisotopic mass357.194000 Da
  • ChemSpider ID30843520

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-5-hydroxypropafenone
1-{5-Hydroxy-2-[(2R)-2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenyl-1-propanon [German] [ACD/IUPAC Name]
1-{5-Hydroxy-2-[(2R)-2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenyl-1-propanone [ACD/IUPAC Name]
1-{5-Hydroxy-2-[(2R)-2-hydroxy-3-(propylamino)propoxy]phényl}-3-phényl-1-propanone [French] [ACD/IUPAC Name]
118648-83-2 [RN]
1-Propanone, 1-[5-hydroxy-2-[(2R)-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl- [ACD/Index Name]
1-Propanone, 1-[5-hydroxy-2-[[(2R)-2-hydroxy-3-(propylamino)propyl]oxy]phenyl]-3-phenyl- [ACD/Index Name]
5-HYDROXYPROPAFENONE, (R)-

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

6EIF79941B [DBID]
UNII:6EIF79941B [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 564.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 295.1±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.26
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.57
ACD/KOC (pH 7.4): 12.55
Polar Surface Area: 79 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 309.8±3.0 cm3

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