Cas no 51619-57-9 ((e)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one)

(e)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one structure
51619-57-9 structure
Product Name:(e)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one
CAS No:51619-57-9
MF:C20H20O3
MW:308.371006011963
CID:935632
PubChem ID:6251270
Update Time:2025-04-19

(e)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one Chemical and Physical Properties

Names and Identifiers

    • (e)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one
    • (E)-1-(2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl)-3-phenyl-2-propen-1-one
    • 2-Propen-1-one, 1-(2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl)-3-phenyl-, (E)-
    • AC1O2JIU
    • CHEMBL460618
    • isocordoin
    • NSC270890
    • NSC-270890
    • 51619-57-9
    • (2E)-1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl ]-3-phenyl-2-propen-1-one
    • CHEBI:185940
    • SCHEMBL24075559
    • 1-(2,4-Dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-3-phenylprop-2-en-1-one
    • LMPK12120007
    • DB-289720
    • (E)-1-(2,4-Dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-3-phenylprop-2-en-1-one
    • 52601-05-5
    • Inchi： 1S/C20H20O3/c1-14(2)8-10-16-19(22)13-11-17(20(16)23)18(21)12-9-15-6-4-3-5-7-15/h3-9,11-13,22-23H,10H2,1-2H3/b12-9+
    • InChI Key： CHWWSUSAPRACBZ-FMIVXFBMSA-N
    • SMILES： OC1C(C(/C=C/C2C=CC=CC=2)=O)=CC=C(C=1C/C=C(\C)/C)O

Computed Properties

  • Exact Mass: 308.1413
  • Monoisotopic Mass: 308.14124450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 442
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.5
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53
  • LogP: 4.50260

(e)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one Related Literature

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