ChemSpider 2D Image | (1R,3R,4S)-1-(4-Hydroxyphenyl)-3,4,5-trimethyl-3,4-dihydro-1H-isochromene-6,8-diol | C18H20O4

(1R,3R,4S)-1-(4-Hydroxyphenyl)-3,4,5-trimethyl-3,4-dihydro-1H-isochromene-6,8-diol

  • Molecular FormulaC18H20O4
  • Average mass300.349 Da
  • Monoisotopic mass300.136169 Da
  • ChemSpider ID40256801

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,3R,4S)-1-(4-Hydroxyphenyl)-3,4,5-trimethyl-3,4-dihydro-1H-isochromen-6,8-diol [German] [ACD/IUPAC Name]
(1R,3R,4S)-1-(4-Hydroxyphenyl)-3,4,5-trimethyl-3,4-dihydro-1H-isochromene-6,8-diol [ACD/IUPAC Name]
(1R,3R,4S)-1-(4-Hydroxyphényl)-3,4,5-triméthyl-3,4-dihydro-1H-isochromène-6,8-diol [French] [ACD/IUPAC Name]
1H-2-Benzopyran-6,8-diol, 3,4-dihydro-1-(4-hydroxyphenyl)-3,4,5-trimethyl-, (1R,3R,4S)- [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: 508.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 261.1±26.8 °C
Index of Refraction: 1.611
Molar Refractivity: 84.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 171.43
ACD/KOC (pH 5.5): 1382.75
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.49
ACD/KOC (pH 7.4): 1367.16
Polar Surface Area: 70 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 243.0±3.0 cm3

Click to predict properties on the Chemicalize site


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