Structure Database (LMSD)
Common Name
Thymol
Systematic Name
Synonyms
3D model of Thymol
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
Level 4 Class
String Representations
InChiKey (Click to copy)
MGSRCZKZVOBKFT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
SMILES (Click to copy)
C1(C(C)C)=CC=C(C)C=C1O
References
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
1
Aromatic Rings
1
Rotatable Bonds
1
Van der Waals Molecular Volume
159.17
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
2.82
Molar Refractivity
46.93
Admin
Created at
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Updated at
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