ChemSpider 2D Image | (2S)-3-[4-(2-{4-[(2R)-3-Chloro-2-hydroxypropoxy]phenyl}-2-propanyl)phenoxy]-1,2-propanediol | C21H27ClO5

(2S)-3-[4-(2-{4-[(2R)-3-Chloro-2-hydroxypropoxy]phenyl}-2-propanyl)phenoxy]-1,2-propanediol

  • Molecular FormulaC21H27ClO5
  • Average mass394.889 Da
  • Monoisotopic mass394.154694 Da
  • ChemSpider ID103881842

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-3-[4-(2-{4-[(2R)-3-Chlor-2-hydroxypropoxy]phenyl}-2-propanyl)phenoxy]-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-[4-(2-{4-[(2R)-3-Chloro-2-hydroxypropoxy]phenyl}-2-propanyl)phenoxy]-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-[4-(2-{4-[(2R)-3-Chloro-2-hydroxypropoxy]phényl}-2-propanyl)phénoxy]-1,2-propanediol [French] [ACD/IUPAC Name]
(2S)-3-[4-[1-[4-[(2R)-3-Chloro-2-hydroxypropoxy]phenyl]-1-methylethyl]phenoxy]-1,2-propanediol
1,2-Propanediol, 3-[4-[1-[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]-1-methylethyl]phenoxy]-, (2S)- [ACD/Index Name]
1203490-24-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 601.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 317.2±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 105.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.99
ACD/KOC (pH 5.5): 906.20
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.99
ACD/KOC (pH 7.4): 906.20
Polar Surface Area: 79 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 321.4±3.0 cm3

Click to predict properties on the Chemicalize site


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