Cas no 3600-64-4 (4,4'-pentane-3,3-diyldiphenol)

4,4'-pentane-3,3-diyldiphenol structure
4,4'-pentane-3,3-diyldiphenol structure
Product Name:4,4'-pentane-3,3-diyldiphenol
CAS No:3600-64-4
MF:C17H20O2
MW:256.339505195618
CID:1475401
PubChem ID:2288503
Update Time:2025-04-21

4,4'-pentane-3,3-diyldiphenol Chemical and Physical Properties

Names and Identifiers

    • 4,4'-pentane-3,3-diyldiphenol
    • 3,3-Bis(4-hydroxyphenyl)pentane
    • phenol, 4,4'-(1-ethylpropylidene)bis-
    • 4-[3-(4-hydroxyphenyl)pentan-3-yl]phenol
    • NS00009708
    • 4,4'-(1-Ethylpropane-1,1,-diyl)diphenol
    • Q15726083
    • RKSBPFMNOJWYSB-UHFFFAOYSA-N
    • 3,3bis(4-hydroxyphenyl)pentane
    • BDBM50001002
    • CHEMBL1782331
    • AB00120638-01
    • 3,3-Bis(p-hydroxyphenyl)pentane
    • SCHEMBL258649
    • 3600-64-4
    • DTXSID70367798
    • CHEBI:79719
    • 3-bis(4-hydroxyphenyl)pentane
    • DTXCID20318836
    • Inchi: 1S/C17H20O2/c1-3-17(4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,18-19H,3-4H2,1-2H3
    • InChI Key: RKSBPFMNOJWYSB-UHFFFAOYSA-N
    • SMILES: OC1C=CC(=CC=1)C(C1C=CC(=CC=1)O)(CC)CC

Computed Properties

  • Exact Mass: 256.1464
  • Monoisotopic Mass: 256.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 232
  • 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: 4.4
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.46
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