ChemSpider 2D Image | 1-[2-(4-{(3S,4S)-7-Methoxy-2,2-bis[(~2~H_3_)methyl]-3-phenyl-3,4-dihydro-2H-chromen-4-yl}phenoxy)ethyl]pyrrolidine | C30H29D6NO3

1-[2-(4-{(3S,4S)-7-Methoxy-2,2-bis[(2H3)methyl]-3-phenyl-3,4-dihydro-2H-chromen-4-yl}phenoxy)ethyl]pyrrolidine

  • Molecular FormulaC30H29D6NO3
  • Average mass463.641 Da
  • Monoisotopic mass463.299347 Da
  • ChemSpider ID58781553

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-[2-(4-{(3S,4S)-7-Methoxy-2,2-bis[(2H3)methyl]-3-phenyl-3,4-dihydro-2H-chromen-4-yl}phenoxy)ethyl]pyrrolidin [German] [ACD/IUPAC Name]
1-[2-(4-{(3S,4S)-7-Methoxy-2,2-bis[(2H3)methyl]-3-phenyl-3,4-dihydro-2H-chromen-4-yl}phenoxy)ethyl]pyrrolidine [ACD/IUPAC Name]
1-[2-(4-{(3S,4S)-7-Méthoxy-2,2-bis[(2H3)méthyl]-3-phényl-3,4-dihydro-2H-chromén-4-yl}phénoxy)éthyl]pyrrolidine [French] [ACD/IUPAC Name]
Pyrrolidine, 1-[2-[4-[(3S,4S)-3,4-dihydro-7-methoxy-2,2-di(methyl-d3)-3-phenyl-2H-1-benzopyran-4-yl]phenoxy]ethyl]- [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: 556.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 145.6±27.3 °C
Index of Refraction: 1.572
Molar Refractivity: 136.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 49.48
ACD/KOC (pH 5.5): 76.71
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 390.81
ACD/KOC (pH 7.4): 605.90
Polar Surface Area: 31 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 414.4±3.0 cm3

Click to predict properties on the Chemicalize site


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