Structure Database (LMSD)
Common Name
Nonylphenol
Systematic Name
4-nonylphenol
Synonyms
3D model of Nonylphenol
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
String Representations
InChiKey (Click to copy)
IGFHQQFPSIBGKE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=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
SMILES (Click to copy)
C1C=C(CCCCCCCCC)C=CC=1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
1
Aromatic Rings
1
Rotatable Bonds
8
Van der Waals Molecular Volume
245.67
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
4.69
Molar Refractivity
69.80
Admin
Created at
-
Updated at
-