• 
  [Synonyms]
  NSC631950
  AIDS134308
  AIDS-134308
  NCI60_010525
  3,5-Dihydroxy-2-(11-phenylundecanoyl)-2-cyclohexen-1-one
  2-Cyclohexen-3,5-diol-1-one, 2-[11-phenylundecanoyl]-
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	372.49778 [g/mol]
  Molecular Formula	C23H32O4
  XLogP	5.8
  H-Bond Donor	2
  H-Bond Acceptor	4
  Rotatable Bond Count	11
  Tautomer Count	13
  Exact Mass	372.23006
  MonoIsotopic Mass	372.23006
  Topological Polar Surface Area	74.6
  Heavy Atom Count	27
  Formal Charge	0
  Complexity	483
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 5-hydroxy-2-(1-hydroxy-11-phenylundecylidene)cyclohexane-1,3-dione
  Canonical SMILES: C1C(CC(=O)C(=C(CCCCCCCCCCC2=CC=CC=C2)O)C1=O)O
  InChI: InChI=1/C23H32O4/c24-19-16-21(26)23(22(27)17-19)20(25)15-11-6-4-2-1-3-5-
  8-12-18-13-9-7-10-14-18/h7,9-10,13-14,19,24-25H,1-6,8,11-12,
  15-17H2/b23-20-