Structure database (LMSD)

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LM IDLMPK15010010
Common Name(Z)-1-(3-hydroxyphenyl)nonadec-9-en-2-one
Systematic Name(Z)-1-(3-hydroxyphenyl)nonadec-9-en-2-one
Synonyms-
Exact Mass
372.3028 (neutral)    Calculate m/z:
FormulaC25H40O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl phenols and derivatives [PK1501]
PubChem CID126457708
InChIKeyGIVJKSRWUFQGDW-KHPPLWFESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)21-23-18-17-20-25(2
7)22-23/h10-11,17-18,20,22,27H,2-9,12-16,19,21H2,1H3/b11-10-
SMILESC1C=C(CC(=O)CCCCCC/C=C\CCCCCCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings1Aromatic Rings1Rotatable Bonds17
 van der Waals
Molecular Volume
422.18Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.54Molar
Refractivity
116.27