ChemSpider 2D Image | (2R)-1-(Dipropylamino)-3-{4-[(3R,4R)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy}-2-propanol | C33H43NO4

(2R)-1-(Dipropylamino)-3-{4-[(3R,4R)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy}-2-propanol

  • Molecular FormulaC33H43NO4
  • Average mass517.699 Da
  • Monoisotopic mass517.319214 Da
  • ChemSpider ID9412713

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-1-(Dipropylamino)-3-{4-[(3R,4R)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy}-2-propanol [ACD/IUPAC Name]
(2R)-1-(Dipropylamino)-3-{4-[(3R,4R)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy}-2-propanol [German] [ACD/IUPAC Name]
(2R)-1-(Dipropylamino)-3-{4-[(3R,4R)-7-méthoxy-2,2-diméthyl-3-phényl-3,4-dihydro-2H-chromén-4-yl]phénoxy}-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[4-[(3R,4R)-3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl]phenoxy]-3-(dipropylamino)-, (2R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 617.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 327.0±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.03
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 210.22
ACD/KOC (pH 5.5): 247.54
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 7052.95
ACD/KOC (pH 7.4): 8305.03
Polar Surface Area: 51 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 479.3±3.0 cm3

Click to predict properties on the Chemicalize site


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