Found 2 results

Search term: LCGZWKGCXCRMAL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-2-(2-Hydroxy-4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-7-chromanol | C21H24O4

(2S)-2-(2-Hydroxy-4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-7-chromanol

  • Molecular FormulaC21H24O4
  • Average mass340.413 Da
  • Monoisotopic mass340.167450 Da
  • ChemSpider ID28496256

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(2-Hydroxy-4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-7-chromanol [German] [ACD/IUPAC Name]
(2S)-2-(2-Hydroxy-4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-7-chromanol [ACD/IUPAC Name]
(2S)-2-(2-Hydroxy-4-méthoxyphényl)-8-(3-méthyl-2-butén-1-yl)-7-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-7-ol, 3,4-dihydro-2-(2-hydroxy-4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-, (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: 491.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 250.8±28.7 °C
Index of Refraction: 1.598
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1860.73
ACD/KOC (pH 5.5): 7621.00
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1832.07
ACD/KOC (pH 7.4): 7503.62
Polar Surface Area: 59 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 288.1±3.0 cm3

Click to predict properties on the Chemicalize site


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