(-)-Neomenthol
CNP0243697.4 · C10H20O · View on COCONUT ↗
Identifiers
| Name | (-)-Neomenthol |
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| IUPAC Name | (1~{R},2~{R},5~{S})-2-isopropyl-5-methyl-cyclohexanol |
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| COCONUT ID | CNP0243697.4 |
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| CAS | 20747-49-3 |
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| InChIKey | NOOLISFMXDJSKH-IVZWLZJFSA-N |
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| InChI | InChI=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 |
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| SMILES | CC(C)[C@H]1CC[C@H](C)C[C@H]1O |
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Properties
| Molecular Formula | C10H20O |
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| Molecular Weight | 156.27 |
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| Exact Mass | 156.15142 |
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| Log P (ALogP) | 2.44 |
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| TPSA | 20.23 |
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| H-Bond Donors / Acceptors | 1 / 1 |
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| Rotatable Bonds | 1 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.62 |
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| NP-likeness | 1.86 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Monoterpenoids |
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| NP Class | Menthane monoterpenoids |
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| Chemical Superclass | Lipids and lipid-like molecules |
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| Chemical Class | Prenol lipids |
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| Chemical Subclass | Monoterpenoids |
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Reported in GR-MAPs Plants
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.
