ChemSpider 2D Image | (2S)-2-{1-[(4-Chloro-3,5-dimethylphenoxy)acetyl]-4-piperidinyl}tetrahydro-3-furancarboxylic acid | C20H26ClNO5

(2S)-2-{1-[(4-Chloro-3,5-dimethylphenoxy)acetyl]-4-piperidinyl}tetrahydro-3-furancarboxylic acid

  • Molecular FormulaC20H26ClNO5
  • Average mass395.877 Da
  • Monoisotopic mass395.149963 Da
  • ChemSpider ID58073890
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(2S)-2-{1-[(4-Chlor-3,5-dimethylphenoxy)acetyl]-4-piperidinyl}tetrahydro-3-furancarbonsäure [German] [ACD/IUPAC Name]
(2S)-2-{1-[(4-Chloro-3,5-dimethylphenoxy)acetyl]-4-piperidinyl}tetrahydro-3-furancarboxylic acid [ACD/IUPAC Name]
3-Furancarboxylic acid, 2-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-piperidinyl]tetrahydro-, (2S)- [ACD/Index Name]
Acide (2S)-2-{1-[2-(4-chloro-3,5-diméthylphénoxy)acétyl]-4-pipéridinyl}tétrahydro-3-furanecarboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 616.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 326.7±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 100.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 7.26
ACD/KOC (pH 5.5): 63.57
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.04
Polar Surface Area: 76 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 307.3±3.0 cm3

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