• 
  [Synonyms]
  Kneglomeratanone B
  Ethanone, 1-(2,4-dihydroxy-6-tridecylphenyl)-
  155233-38-8
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	334.49286 [g/mol]
  Molecular Formula	C21H34O3
  XLogP	7.2
  H-Bond Donor	2
  H-Bond Acceptor	3
  Rotatable Bond Count	13
  Tautomer Count	42
  Exact Mass	334.250795
  MonoIsotopic Mass	334.250795
  Topological Polar Surface Area	57.5
  Heavy Atom Count	24
  Formal Charge	0
  Complexity	329
  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: 1-(2,4-dihydroxy-6-tridecylphenyl)ethanone
  Canonical SMILES: CCCCCCCCCCCCCC1=CC(=CC(=C1C(=O)C)O)O
  InChI: InChI=1/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-15-19(23)16-20(24)21
  (18)17(2)22/h15-16,23-24H,3-14H2,1-2H3