Structure Database (LMSD)
Common Name
2-methyl-5-pentadecyl resorcinol
Systematic Name
2-methyl-5-pentadecyl-1,3-benzenediol
Synonyms
3D model of 2-methyl-5-pentadecyl resorcinol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Anacardium occidentale
(#171929)
Magnoliopsida
(#3398)
Antibacterial agents from the cashew Anacardium occidentale (Anacardiaceae) nut shell oil,
J. Agric. Food Chem., 1991
J. Agric. Food Chem., 1991
DOI:
10.1021/jf00002a039
String Representations
InChiKey (Click to copy)
BKJGZUZQKDSBSN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h17-18,23-24H,3-16H2,1-2H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCC)C=C(O)C=1C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
1
Rotatable Bonds
14
Van der Waals Molecular Volume
375.56
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
7.04
Molar Refractivity
103.91
Admin
Created at
4th May 2021
Updated at
4th May 2021