Cas no 116107-09-6 (2-Propen-1-one,1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-phenyl-, (E)-)

2-Propen-1-one,1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-phenyl-, (E)- structure
116107-09-6 structure
Product Name:2-Propen-1-one,1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-phenyl-, (E)-
CAS No:116107-09-6
MF:C21H6O4
MW:322.26994562149
CID:1205574
Update Time:2024-08-02

2-Propen-1-one,1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-phenyl-, (E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propen-1-one,1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-phenyl-, (E)-
    • 2-Propen-1-one, 1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-phenyl-, (E)- (9CI)
    • Inchi： 1S/C21H6O4/c1-14(2)9-11-16-18(23)13-19(25-3)20(21(16)24)17(22)12-10-15-7-5-4-6-8-15/h4-8,13H
    • InChI Key： QHXAZRLHZAPUDI-UHFFFAOYSA-N
    • SMILES： [C]OC1C(C(/[C]=[C]/C2C=CC=CC=2)=O)=C([O])C([C]/[C]=C(\[C])/[C])=C([O])C=1 |^1:0,5,6,15,18,20,21,23,^4:17|

Computed Properties

  • Exact Mass: 338.15186
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • XLogP3: 4.668

Experimental Properties

  • Density: 1.181±0.06 g/cm3(Predicted)
  • Melting Point: 165-168 °C
  • Boiling Point: 537.5±50.0 °C(Predicted)
  • PSA: 66.76
  • pka: 7.52±0.45(Predicted)

2-Propen-1-one,1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-phenyl-, (E)- Related Literature

116107-09-6 (2-Propen-1-one,1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-phenyl-, (E)-) Related Products

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