ChemSpider 2D Image | [(2S,3R)-6-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzothiophen-3-yl]{4-[2-(1-piperidinyl)ethoxy]phenyl}methanone | C28H29NO4S

[(2S,3R)-6-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzothiophen-3-yl]{4-[2-(1-piperidinyl)ethoxy]phenyl}methanone

  • Molecular FormulaC28H29NO4S
  • Average mass475.599 Da
  • Monoisotopic mass475.181732 Da
  • ChemSpider ID23113865

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2S,3R)-6-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzothiophen-3-yl]{4-[2-(1-piperidinyl)ethoxy]phenyl}methanon [German] [ACD/IUPAC Name]
[(2S,3R)-6-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzothiophen-3-yl]{4-[2-(1-piperidinyl)ethoxy]phenyl}methanone [ACD/IUPAC Name]
[(2S,3R)-6-Hydroxy-2-(4-hydroxyphényl)-2,3-dihydro-1-benzothiophén-3-yl]{4-[2-(1-pipéridinyl)éthoxy]phényl}méthanone [French] [ACD/IUPAC Name]
Methanone, [(2S,3R)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]- [ACD/Index Name]
[(2S,3R)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzothiophen-3-yl]{4-[2-(piperidin-1-yl)ethoxy]phenyl}methanone
[(2S,3R)-6-Hydroxy-2-(4-hydroxy-phenyl)-2,3-dihydro-benzo[b]thiophen-3-yl]-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone
Dihydroraloxifene

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

Density: 1.3±0.1 g/cm3
Boiling Point: 687.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 369.6±31.5 °C
Index of Refraction: 1.655
Molar Refractivity: 135.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 4.52
ACD/KOC (pH 5.5): 16.83
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 181.54
ACD/KOC (pH 7.4): 676.29
Polar Surface Area: 95 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 370.1±3.0 cm3

Click to predict properties on the Chemicalize site


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