• 
  [Synonyms]
  NSC103251
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	270.32302 [g/mol]
  Molecular Formula	C17H18O3
  XLogP	3.7
  H-Bond Donor	1
  H-Bond Acceptor	3
  Rotatable Bond Count	6
  Exact Mass	270.125594
  MonoIsotopic Mass	270.125594
  Topological Polar Surface Area	46.5
  Heavy Atom Count	20
  Formal Charge	0
  Complexity	289
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	1
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: [4-(3-hydroxybutyl)phenyl] benzoate
  Canonical SMILES: CC(CCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)O
  InChI: InChI=1/C17H18O3/c1-13(18)7-8-14-9-11-16(12-10-14)20-17(19)15-5-3-2-4-6-
  15/h2-6,9-13,18H,7-8H2,1H3