ChemSpider 2D Image | cis-1-(2-(4-(2,3-dihydro-5-methoxy-2-phenyl-1H-inden-1-yl)phenoxy)ethyl)pyrrolidine | C28H31NO2

cis-1-(2-(4-(2,3-dihydro-5-methoxy-2-phenyl-1H-inden-1-yl)phenoxy)ethyl)pyrrolidine

  • Molecular FormulaC28H31NO2
  • Average mass413.551 Da
  • Monoisotopic mass413.235474 Da
  • ChemSpider ID58828341

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(2-{4-[(1S,2R)-5-Methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl]phenoxy}ethyl)pyrrolidin [German] [ACD/IUPAC Name]
1-(2-{4-[(1S,2R)-5-Methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl]phenoxy}ethyl)pyrrolidine [ACD/IUPAC Name]
1-(2-{4-[(1S,2R)-5-Méthoxy-2-phényl-2,3-dihydro-1H-indén-1-yl]phénoxy}éthyl)pyrrolidine [French] [ACD/IUPAC Name]
118848-44-5 [RN]
cis-1-(2-(4-(2,3-dihydro-5-methoxy-2-phenyl-1H-inden-1-yl)phenoxy)ethyl)pyrrolidine
Pyrrolidine, 1-[2-[4-[(1S,2R)-2,3-dihydro-5-methoxy-2-phenyl-1H-inden-1-yl]phenoxy]ethyl]- [ACD/Index Name]
1-(2-(4-(2,3-DIHYDRO-5-METHOXY-2-PHENYL-1H-INDEN-1-YL)PHENOXY)ETHYL)PYRROLIDINE, CIS-

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

6MA3090GNH [DBID]
UNII:6MA3090GNH [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 529.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 156.3±18.7 °C
Index of Refraction: 1.598
Molar Refractivity: 125.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 27.19
ACD/KOC (pH 5.5): 49.96
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 213.23
ACD/KOC (pH 7.4): 391.84
Polar Surface Area: 22 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 367.2±3.0 cm3

Click to predict properties on the Chemicalize site


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