ChemSpider 2D Image | (2S)-3-(4-Hydroxyphenyl)-4-(~2~H_3_)methyl-2-{4-[2-(1-piperidinyl)ethoxy]phenyl}-2H-chromen-7-ol | C29H28D3NO4

(2S)-3-(4-Hydroxyphenyl)-4-(2H3)methyl-2-{4-[2-(1-piperidinyl)ethoxy]phenyl}-2H-chromen-7-ol

  • Molecular FormulaC29H28D3NO4
  • Average mass460.579 Da
  • Monoisotopic mass460.244141 Da
  • ChemSpider ID17589655

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-3-(4-Hydroxyphenyl)-4-(2H3)methyl-2-{4-[2-(1-piperidinyl)ethoxy]phenyl}-2H-chromen-7-ol [ACD/IUPAC Name]
(2S)-3-(4-Hydroxyphenyl)-4-(2H3)methyl-2-{4-[2-(1-piperidinyl)ethoxy]phenyl}-2H-chromen-7-ol [German] [ACD/IUPAC Name]
(2S)-3-(4-Hydroxyphényl)-4-(2H3)méthyl-2-{4-[2-(1-pipéridinyl)éthoxy]phényl}-2H-chromén-7-ol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-7-ol, 3-(4-hydroxyphenyl)-4-(methyl-d3)-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-, (2S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 651.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 347.8±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 132.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.62
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 71.72
ACD/KOC (pH 5.5): 117.27
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 2598.79
ACD/KOC (pH 7.4): 4249.51
Polar Surface Area: 62 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 375.9±3.0 cm3

Click to predict properties on the Chemicalize site


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