2,6-DIMETHOXYPHENOL
CNP0421772.0 · C8H10O3 · View on COCONUT ↗
Identifiers
| Name | 2,6-DIMETHOXYPHENOL |
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| IUPAC Name | 2,6-dimethoxyphenol |
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| COCONUT ID | CNP0421772.0 |
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| InChIKey | KLIDCXVFHGNTTM-UHFFFAOYSA-N |
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| InChI | InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3 |
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| SMILES | COC1=CC=CC(OC)=C1O |
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Properties
| Molecular Formula | C8H10O3 |
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| Molecular Weight | 154.16 |
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| Exact Mass | 154.06299 |
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| Log P (ALogP) | 1.41 |
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| TPSA | 38.69 |
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| H-Bond Donors / Acceptors | 1 / 3 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.70 |
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| NP-likeness | 0.33 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Phenolic acids (C6-C1) |
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| NP Class | Simple phenolic acids |
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| Chemical Superclass | Benzenoids |
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| Chemical Class | Phenols |
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| Chemical Subclass | Methoxyphenols |
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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.
