ChemSpider 2D Image | [4-(2-Pyrrolidinylmethoxy)phenyl][4-(3-thienyl)phenyl]methanone | C22H21NO2S

[4-(2-Pyrrolidinylmethoxy)phenyl][4-(3-thienyl)phenyl]methanone

  • Molecular FormulaC22H21NO2S
  • Average mass363.473 Da
  • Monoisotopic mass363.129303 Da
  • ChemSpider ID24626134

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[4-(2-Pyrrolidinylmethoxy)phenyl][4-(3-thienyl)phenyl]methanon [German] [ACD/IUPAC Name]
[4-(2-Pyrrolidinylmethoxy)phenyl][4-(3-thienyl)phenyl]methanone [ACD/IUPAC Name]
[4-(2-Pyrrolidinylméthoxy)phényl][4-(3-thiényl)phényl]méthanone [French] [ACD/IUPAC Name]
{4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone
Methanone, [4-(2-pyrrolidinylmethoxy)phenyl][4-(3-thienyl)phenyl]- [ACD/Index Name]
(2R)-2-(4-{[4-(thiophen-3-yl)phenyl]carbonyl}phenoxymethyl)pyrrolidine
(2R)-2-{4-[4-(thiophen-3-yl)benzoyl]phenoxymethyl}pyrrolidine

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

798 [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: 524.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 271.2±27.3 °C
Index of Refraction: 1.603
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 5.16
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 4.38
ACD/KOC (pH 7.4): 19.41
Polar Surface Area: 67 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 307.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement