Structure database (LMSD)

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LM IDLMPK15010004
Common Name3-pentadecylphenol
Systematic Name3-pentadecylphenol
Synonyms-
Exact Mass
304.2766 (neutral)    Calculate m/z:
FormulaC21H36O
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl phenols and derivatives [PK1501]
PubChem CID68146
HMDB IDHMDB0033872
InChIKeyPTFIPECGHSYQNR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h1
5,17-19,22H,2-14,16H2,1H3
SMILESC1C=C(CCCCCCCCCCCCCCC)C=C(O)C=1
MS SpectraView MoNA MS spectra     
StatusActive
ReferencesCardanols from Leaves of Rhus thyrsiflora K. Franke, M. Masaoud, J. Schmidt, Planta Med 67 (2001)
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings1Rotatable Bonds14
 van der Waals
Molecular Volume
349.47Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.03Molar
Refractivity
97.51