Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01140030
Common Name15-Phenylpentadecanoic acid
Systematic Name15-Phenylpentadecanoic acid
Synonyms-
Exact Mass
318.2559 (neutral)    Calculate m/z:
FormulaC21H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID2737151
PlantFA ID10533
InChIKeyBKXIGVQZLPZYLM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H34O2/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-2
0/h11,13-14,17-18H,1-10,12,15-16,19H2,(H,22,23)
SMILESC(CCCCCCCCCCCCCCC1=CC=CC=C1)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings1Rotatable Bonds15
 van der Waals
Molecular Volume
355.62Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.39Molar
Refractivity
97.80