Structure database (LMSD)

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LM IDLMPK15030002
Common NameDB-2073
Systematic Name2-hexyl-5-propylbenzene-1,3-diol
Synonyms2-n-hexyl-5-n-propylresorcinol
Exact Mass
236.1776 (neutral)    Calculate m/z:
FormulaC15H24O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID197183
InChIKeyVERGPVBZPMTZDY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24O2/c1-3-5-6-7-9-13-14(16)10-12(8-4-2)11-15(13)17/h10-11,16-17H,3-
9H2,1-2H3
SMILESC1(O)C=C(CCC)C=C(O)C=1CCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings1Aromatic Rings1Rotatable Bonds7
 van der Waals
Molecular Volume
254.46Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP4.17Molar
Refractivity
71.61