Structure database (LMSD)

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LM IDLMPK15010003
Common Name3-tridecylphenol
Systematic Name3-tridecylphenol
Synonyms-
Exact Mass
276.2453 (neutral)    Calculate m/z:
FormulaC19H32O
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl phenols and derivatives [PK1501]
PubChem CID155892
InChIKeyIFGRPNIAGKTMCH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H32O/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16-19(20)17-18/h13,15-1
7,20H,2-12,14H2,1H3
SMILESC1C=C(CCCCCCCCCCCCC)C=C(O)C=1
StatusActive
ReferencesCardanols from Leaves of Rhus thyrsiflora K. Franke, M. Masaoud, J. Schmidt, Planta Med 67 (2001)
Calculated physicochemical properties (?):
 Heavy Atoms20Rings1Aromatic Rings1Rotatable Bonds12
 van der Waals
Molecular Volume
314.87Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP6.25Molar
Refractivity
88.27