ChemSpider 2D Image | (+)-(3R)-1-(3,4-dihydroxyphenyl)-7-phenyl-(6E)-6-hepten-3-ol | C19H22O3

(+)-(3R)-1-(3,4-dihydroxyphenyl)-7-phenyl-(6E)-6-hepten-3-ol

  • Molecular FormulaC19H22O3
  • Average mass298.376 Da
  • Monoisotopic mass298.156891 Da
  • ChemSpider ID26362878

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-(3R)-1-(3,4-dihydroxyphenyl)-7-phenyl-(6E)-6-hepten-3-ol
1,2-Benzenediol, 4-[(3R,6E)-3-hydroxy-7-phenyl-6-hepten-1-yl]- [ACD/Index Name]
158697-56-4 [RN]
4-[(3R,6E)-3-Hydroxy-7-phenyl-6-hepten-1-yl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(3R,6E)-3-Hydroxy-7-phényl-6-heptén-1-yl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(3R,6E)-3-Hydroxy-7-phenyl-6-hepten-1-yl]-1,2-benzoldiol [German] [ACD/IUPAC Name]
  • Miscellaneous

    • Chemical Class:

      A diarylheptanoid that is (6<stereo>E</stereo>)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a phenyl group at position 7 (the 3<stereo>R</stereo>- stereoisomer). It has been isolated from the rhizomes of <ital>Curcuma kwangsiensis</ital>. ChEBI CHEBI:70693
      A diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a phenyl group at position 7 (the 3R- stereoisomer). It has ; been isolated from the rhizomes of Curcuma kwangsiensis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70693
      A diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a phenyl group at position 7 (the 3R- stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis. ChEBI CHEBI:70693

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 253.9±24.7 °C
Index of Refraction: 1.637
Molar Refractivity: 90.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 150.26
ACD/KOC (pH 5.5): 1258.30
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 149.35
ACD/KOC (pH 7.4): 1250.68
Polar Surface Area: 61 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 251.9±3.0 cm3

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