Structure database (LMSD)

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LM IDLMPK15010002
Common NameCardanol
Systematic Name3-((8Z,11Z)-pentadeca-8,11,14-trien-1-yl)phenol
Synonyms-
Exact Mass
298.2297 (neutral)    Calculate m/z:
FormulaC21H30O
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl phenols and derivatives [PK1501]
PubChem CID11266523
CAYMAN ID23155
InChIKeyJOLVYUIAMRUBRK-UTOQUPLUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h2
,4-5,7-8,15,17-19,22H,1,3,6,9-14,16H2/b5-4-,8-7-
SMILESC1C=C(CCCCCCC/C=C\C/C=C\CC=C)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings1Rotatable Bonds12
 van der Waals
Molecular Volume
341.55Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP6.35Molar
Refractivity
97.22