Secondary metabolite: 1-[4-(Hydroxymethyl)phenyl]hexan-1-ol Summary Molecular formula: C13H20O2
SMILES: CCCCCC(c1ccc(cc1)CO)O InChI: InChI=1S/C13H20O2/c1-2-3-4-5-13(15)12-8-6-11(10-14)7-9-12/h6-9,13-15H,2-5,10H2,1H3 InChIKey: LMRVOUWMTBCVPJ-UHFFFAOYSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Fatty Acyls
Sub class: Fatty alcohols
Synonymous chemical names: 1-[4-(hydroxymethyl)phenyl]hexan-1-ol
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 208.3 Log P RDKit 2.79 Topological polar surface area (Å2 ) RDKit 40.46 Number of hydrogen bond acceptors RDKit 2 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 13 Number of heavy atoms RDKit 15 Number of heteroatoms RDKit 2 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 1 Stereochemical complexity RDKit 0.08 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 6 Number of sp3 hybridized carbon atoms RDKit 7 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.54 Shape complexity RDKit 0.54 Number of rotatable bonds SwissADME 6 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 0 Number of aromatic carbocycles RDKit 1 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 1 Total number of rings RDKit 1 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 0 Number of Smallest Set of Smallest Rings (SSSR) RDKit 1
TOP ![1-[4-(Hydroxymethyl)phenyl]hexan-1-ol](/mefsat/images/2D_IMAGE/PNG/MSID000129.png)
