3-(Hydroxymethyl)-5-methoxyphenol
CNP0348183.0 · C8H10O3 · View on COCONUT ↗
Identifiers
| Name | 3-(Hydroxymethyl)-5-methoxyphenol |
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| IUPAC Name | 3-(hydroxymethyl)-5-methoxy-phenol |
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| COCONUT ID | CNP0348183.0 |
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| CAS | 30891-29-3 |
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| InChIKey | OANKJSUXMPAWAT-UHFFFAOYSA-N |
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| InChI | InChI=1S/C8H10O3/c1-11-8-3-6(5-9)2-7(10)4-8/h2-4,9-10H,5H2,1H3 |
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| SMILES | COC1=CC(O)=CC(CO)=C1 |
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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) | 0.89 |
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| TPSA | 49.69 |
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| H-Bond Donors / Acceptors | 2 / 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 | 0.66 |
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| NP-likeness | 1.11 |
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Classification
| NP Pathway | Polyketides |
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| NP Superclass | |
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| NP Class | |
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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.
