Structure Database (LMSD)

Common Name
Thymol
Systematic Name
Synonyms
LM ID
LMPR0102090029
Status
Active
Exact Mass
Calculate m/z
150.104465
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID

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

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Created at
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Updated at
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