Cas no 42385-89-7 ([4-[3-oxo-3-(2,4,6-triacetyloxyphenyl)propyl]phenyl] Acetate)

[4-[3-oxo-3-(2,4,6-triacetyloxyphenyl)propyl]phenyl] Acetate structure
42385-89-7 structure
Product Name:[4-[3-oxo-3-(2,4,6-triacetyloxyphenyl)propyl]phenyl] Acetate
CAS No:42385-89-7
MF:C23H22O9
MW:442.415387630463
CID:1515014
PubChem ID:247512
Update Time:2025-04-21

[4-[3-oxo-3-(2,4,6-triacetyloxyphenyl)propyl]phenyl] Acetate Chemical and Physical Properties

Names and Identifiers

    • [4-[3-oxo-3-(2,4,6-triacetyloxyphenyl)propyl]phenyl] Acetate
    • 3-(4-acetoxy-phenyl)-1-(2,4,6-triacetoxy-phenyl)-propan-1-one
    • AC1Q623U
    • AC1L6KFH
    • AR-1E9444
    • 3-(4-Acetoxy-phenyl)-1-(2,4,6-triacetoxy-phenyl)-propan-1-on
    • AG-K-29912
    • CTK4I6158
    • NSC62342
    • 3,5-bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate
    • phloretin triacetate
    • 3-(4-acetoxy-phenyl)-1-(2,4,6-triacetoxy-phenyl)-propan-1-one; AC1Q623U; AC1L6KFH; AR-1E9444; 3-(4-Acetoxy-phenyl)-1-(2,4,6-triacetoxy-phenyl)-propan-1-on; AG-K-29912; CTK4I6158; NSC62342; 3,5-bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate; phloretin triacetate;
    • NSC-62342
    • 42385-89-7
    • DTXSID30289604
    • Inchi： 1S/C23H22O9/c1-13(24)29-18-8-5-17(6-9-18)7-10-20(28)23-21(31-15(3)26)11-19(30-14(2)25)12-22(23)32-16(4)27/h5-6,8-9,11-12H,7,10H2,1-4H3
    • InChI Key： OUTPMVGHRKAIEB-UHFFFAOYSA-N
    • SMILES： O(C(C)=O)C1C=C(C=C(C=1C(CCC1C=CC(=CC=1)OC(C)=O)=O)OC(C)=O)OC(C)=O

Computed Properties

  • Exact Mass: 442.12636
  • Monoisotopic Mass: 442.12638228g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 12
  • Complexity: 682
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 122?2

Experimental Properties

  • PSA: 122.27
  • LogP: 3.20330

[4-[3-oxo-3-(2,4,6-triacetyloxyphenyl)propyl]phenyl] Acetate Related Literature

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