Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK15010001
Common NameNonylphenol
Systematic Name4-nonylphenol
Synonyms-
Exact Mass
220.1827 (neutral)    Calculate m/z:
FormulaC15H24O
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl phenols and derivatives [PK1501]
PubChem CID1752
HMDB IDHMDB0038982
InChIKeyIGFHQQFPSIBGKE-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3
SMILESC1C=C(CCCCCCCCC)C=CC=1O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings1Aromatic Rings1Rotatable Bonds8
 van der Waals
Molecular Volume
245.67Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP4.69Molar
Refractivity
69.80