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COCONUT Compound

(+)-Menthol

CNP0243697.7 · C10H20O · View on COCONUT ↗

2D Structure

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Identifiers

Name(+)-Menthol
IUPAC Name(1~{S},2~{R},5~{S})-2-isopropyl-5-methyl-cyclohexanol
COCONUT IDCNP0243697.7
CAS15356-60-2
InChIKeyNOOLISFMXDJSKH-AEJSXWLSSA-N
InChIInChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m0/s1
SMILESCC(C)[C@H]1CC[C@H](C)C[C@@H]1O

Properties

Molecular FormulaC10H20O
Molecular Weight156.27
Exact Mass156.15142
Log P (ALogP)2.44
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.62
NP-likeness1.86

Classification

NP PathwayTerpenoids
NP SuperclassMonoterpenoids
NP ClassMenthane monoterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassMonoterpenoids

Reported in GR-MAPs Plants

Mentha Arvensis as “Mentha arvensis” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Chlorophytum brovillianum as “Chlorophytum borivilianum” in COCONUT

References (2)

  1. 10.1016/0031-9422(91)85025-u
  2. 10.1271/BBB.67.475

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.