ChemSpider 2D Image | (2S,3S,4R)-4-(4-Hydroxy-3-methoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-3,4-dihydro-1(2H)-naphthalenone | C21H24O5

(2S,3S,4R)-4-(4-Hydroxy-3-methoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-3,4-dihydro-1(2H)-naphthalenone

  • Molecular FormulaC21H24O5
  • Average mass356.412 Da
  • Monoisotopic mass356.162384 Da
  • ChemSpider ID24661450

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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(2S,3S,4R)-4-(4-Hydroxy-3-méthoxyphényl)-6,7-diméthoxy-2,3-diméthyl-3,4-dihydro-1(2H)-naphtalénone [French] [ACD/IUPAC Name]
(2S,3S,4R)-4-(4-Hydroxy-3-methoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-3,4-dihydro-1(2H)-naphthalenone [ACD/IUPAC Name]
(2S,3S,4R)-4-(4-Hydroxy-3-methoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-3,4-dihydro-1(2H)-naphthalinon [German] [ACD/IUPAC Name]
1(2H)-Naphthalenone, 3,4-dihydro-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-, (2S,3S,4R)- [ACD/Index Name]
()-holostyligone
(-)-Holostyligone
(2S,?3S,?4R)?-3,?4-?dihydro-?4-?(4-?hydroxy-?3-?methoxyphenyl)?-?6,?7-?dimethoxy-?2,?3-?dimethyl-1(2H)?-?Naphthalenone?
887501-28-2 [RN]
Holostyligone, (-)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 507.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 175.6±23.6 °C
Index of Refraction: 1.557
Molar Refractivity: 98.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 454.57
ACD/KOC (pH 5.5): 2779.13
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 453.37
ACD/KOC (pH 7.4): 2771.80
Polar Surface Area: 65 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 307.4±3.0 cm3

Click to predict properties on the Chemicalize site


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