2-METHYLNAPHTHALENE
CNP0213194.0 · C11H10 · View on COCONUT ↗
Identifiers
| Name | 2-METHYLNAPHTHALENE |
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| IUPAC Name | 2-methylnaphthalene |
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| COCONUT ID | CNP0213194.0 |
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| CAS | 91-57-6 |
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| InChIKey | QIMMUPPBPVKWKM-UHFFFAOYSA-N |
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| InChI | InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3 |
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| SMILES | CC1=CC=C2C=CC=CC2=C1 |
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Properties
| Molecular Formula | C11H10 |
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| Molecular Weight | 142.20 |
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| Exact Mass | 142.07825 |
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| Log P (ALogP) | 3.15 |
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| TPSA | 0.00 |
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| H-Bond Donors / Acceptors | 0 / 0 |
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| Rotatable Bonds | 0 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.53 |
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| NP-likeness | -0.62 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Phenanthrenoids |
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| NP Class | Phenanthrenes |
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| Chemical Superclass | Benzenoids |
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| Chemical Class | Naphthalenes |
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| Chemical Subclass | Naphthalenes |
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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.
