Cas no 112147-71-4 (1,16-bis(4-hydroxyphenyl)hexadecane-1,16-dione)

1,16-bis(4-hydroxyphenyl)hexadecane-1,16-dione structure
112147-71-4 structure
Product Name:1,16-bis(4-hydroxyphenyl)hexadecane-1,16-dione
CAS No:112147-71-4
MF:C28H38O4
MW:438.598928928375
CID:2608131
PubChem ID:71336134
Update Time:2025-04-21

1,16-bis(4-hydroxyphenyl)hexadecane-1,16-dione Chemical and Physical Properties

Names and Identifiers

    • 1,16-bis(4-hydroxyphenyl)hexadecane-1,16-dione
    • DTXSID30763994
    • 112147-71-4
    • Inchi: 1S/C28H38O4/c29-25-19-15-23(16-20-25)27(31)13-11-9-7-5-3-1-2-4-6-8-10-12-14-28(32)24-17-21-26(30)22-18-24/h15-22,29-30H,1-14H2
    • InChI Key: XBKLUHSKFUPQSQ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=CC=1)O)CCCCCCCCCCCCCCC(C1C=CC(=CC=1)O)=O

Computed Properties

  • Exact Mass: 438.27700969Da
  • Monoisotopic Mass: 438.27700969Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 17
  • Complexity: 456
  • 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: 8.3
  • Topological Polar Surface Area: 74.6?2
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