Structure Database (LMSD)
Common Name
5-(2R-hydroxy-pentadecyl)resorcinol
Systematic Name
5-(2R-hydroxy-pentadecyl)-benzene-1-3-diol
Synonyms
3D model of 5-(2R-hydroxy-pentadecyl)resorcinol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IYXFMXYFVCIIAN-LJQANCHMSA-N
InChi (Click to copy)
InChI=1S/C21H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)14-18-15-20(23)17-21(24)16-18/h15-17,19,22-24H,2-14H2,1H3/t19-/m1/s1
SMILES (Click to copy)
C1(O)C=C(C[C@H](O)CCCCCCCCCCCCC)C=C(O)C=1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Ardisia virens
(#1073920)
Magnoliopsida
(#3398)
Cytotoxic alkyl benzoquinones and alkyl phenols from Ardisia virens.,
Phytochemistry, 2009
Phytochemistry, 2009
Pubmed ID:
19833361
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
1
Rotatable Bonds
14
Van der Waals Molecular Volume
367.05
Topological Polar Surface Area
60.69
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
5.99
Molar Refractivity
101.07
Admin
Created at
12th May 2020
Updated at
12th May 2020