Cas no 20784-60-5 (4'-O-Methylbavachalcone)

4'-O-Methylbavachalcone structure
4'-O-Methylbavachalcone structure
Product Name:4'-O-Methylbavachalcone
CAS No:20784-60-5
MF:C21H22O4
MW:338.3970
MDL:MFCD02183383
CID:836822
PubChem ID:5321765
Update Time:2024-10-31

4'-O-Methylbavachalcone Chemical and Physical Properties

Names and Identifiers

    • 4'-O-Methylbroussochalcone B
    • O-Methylbroussochalcone B, 4'-
    • (2E)-1-[2-Hydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-3-(4 -hydroxyphenyl)-2-propen-1-one
    • 4'-OMETHYLBROUSSOCHALCONE B
    • 4,2'-dihydroxy-4'-methoxy-5'-prenylchalcone
    • 4'-O-Methyl-bavachalcon
    • batracyclin
    • Batracylin
    • bavachalcone
    • Daniquidone
    • 2',4-Dihydroxy-4'-methoxy-5'-(3-methyl-2-butenyl)chalcone
    • [ "" ]
    • (2e)-1-[2-Hydroxy-4-Methoxy-5-(3-Methylbut-2-En-1-Yl)phenyl]-3-(4-Hydroxyphenyl)prop-2-En-1-One
    • (E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
    • 1-[2-Hydroxy-4-methoxy-5-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
    • 4'-O-methylbavachalcone (4)
    • BDBM246523
    • LMPK12120046
    • DB07500
    • W1522
    • (E)-2',4-Dihydroxy-4'-methoxy-5'-(3-methyl-2-bu
    • 4'-O-Methylbavachalcone
    • O-Methylbroussochalcone B
    • 2-Propen-1-one, 1-[2-hydroxy-4-me
    • CS-0017867
    • 2-Propen-1-one, 1-[2-hydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-, (2E)-
    • 20784-60-5
    • 1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop- 2-en-1-one
    • NS00071608
    • HY-N1910
    • Q27096720
    • AKOS032948695
    • BVL
    • SCHEMBL5519329
    • AS-74701
    • AC-34316
    • DTXSID201313498
    • CHEMBL1231518
    • (E)-1-(2-Hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
    • 4'-O-MethylbroussochalconeB
    • DA-49750
    • 4a(2)-O-Methylbavachalcone
    • O-Methylbroussochalcone B, 4'
    • MDL: MFCD02183383
    • Inchi: 1S/C21H22O4/c1-14(2)4-8-16-12-18(20(24)13-21(16)25-3)19(23)11-7-15-5-9-17(22)10-6-15/h4-7,9-13,22,24H,8H2,1-3H3/b11-7+
    • InChI Key: ZUGCRBMNFSAUOC-YRNVUSSQSA-N
    • SMILES: O(C([H])([H])[H])C1=C([H])C(=C(C(/C(/[H])=C(\[H])/C2C([H])=C([H])C(=C([H])C=2[H])O[H])=O)C([H])=C1C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H])O[H]

Computed Properties

  • Exact Mass: 338.15200
  • Monoisotopic Mass: 338.15180918 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 6
  • Complexity: 484
  • 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: 5.4
  • Topological Polar Surface Area: 66.8
  • Molecular Weight: 338.4

Experimental Properties

  • Color/Form: Yellow powder
  • Density: 1.2±0.1 g/cm3
  • Melting Point: 169.9-170.1 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
  • Boiling Point: 552.1±50.0 °C at 760 mmHg
  • Flash Point: 194.9±23.6 °C
  • PSA: 66.76000
  • LogP: 4.51120
  • Vapor Pressure: 0.0±1.5 mmHg at 25°C

4'-O-Methylbavachalcone Security Information

4'-O-Methylbavachalcone Pricemore >>

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