ChemSpider 2D Image | (2S)-1-{4-[(3R,4R)-7-Methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy}-3-(1-piperidinyl)-2-propanol | C32H39NO4

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

  • Molecular FormulaC32H39NO4
  • Average mass501.656 Da
  • Monoisotopic mass501.287903 Da
  • ChemSpider ID9561428

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-1-{4-[(3R,4R)-7-Methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy}-3-(1-piperidinyl)-2-propanol [ACD/IUPAC Name]
(2S)-1-{4-[(3R,4R)-7-Methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy}-3-(1-piperidinyl)-2-propanol [German] [ACD/IUPAC Name]
(2S)-1-{4-[(3R,4R)-7-Méthoxy-2,2-diméthyl-3-phényl-3,4-dihydro-2H-chromén-4-yl]phénoxy}-3-(1-pipéridinyl)-2-propanol [French] [ACD/IUPAC Name]
1-Piperidineethanol, α-[[4-[(3R,4R)-3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl]phenoxy]methyl]-, (αS)- [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: 625.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 331.8±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.54
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 74.18
ACD/KOC (pH 5.5): 109.91
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 1701.10
ACD/KOC (pH 7.4): 2520.30
Polar Surface Area: 51 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 446.5±3.0 cm3

Click to predict properties on the Chemicalize site


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