ChemSpider 2D Image | 4,4'-[(1E,3R,5S)-5-Hydroxy-3-methoxy-1-heptene-1,7-diyl]diphenol | C20H24O4

4,4'-[(1E,3R,5S)-5-Hydroxy-3-methoxy-1-heptene-1,7-diyl]diphenol

  • Molecular FormulaC20H24O4
  • Average mass328.402 Da
  • Monoisotopic mass328.167450 Da
  • ChemSpider ID29355654

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

4,4'-[(1E,3R,5S)-5-Hydroxy-3-methoxy-1-hepten-1,7-diyl]diphenol [German] [ACD/IUPAC Name]
4,4'-[(1E,3R,5S)-5-Hydroxy-3-methoxy-1-heptene-1,7-diyl]diphenol [ACD/IUPAC Name]
4,4'-[(1E,3R,5S)-5-Hydroxy-3-méthoxy-1-heptène-1,7-diyl]diphénol [French] [ACD/IUPAC Name]
Benzenepropanol, 4-hydroxy-α-[(2R,3E)-4-(4-hydroxyphenyl)-2-methoxy-3-buten-1-yl]-, (αS)- [ACD/Index Name]
(3S,5S)-3-hydroxy-5-methoxy-1,7-(3S,5S)-3-hydroxy-5-methoxy-1,7-bis(4-hydroxyphenyl)-6E-heptene

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

Density: 1.2±0.1 g/cm3
Boiling Point: 553.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 288.4±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 261.56
ACD/KOC (pH 5.5): 1871.09
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 260.36
ACD/KOC (pH 7.4): 1862.48
Polar Surface Area: 70 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 275.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement