2-methoxy-1-methyl-4-(prop-1-en-2-yl)benzene
CNP0254908.0 · C11H14O · View on COCONUT ↗
Identifiers
| Name | 2-methoxy-1-methyl-4-(prop-1-en-2-yl)benzene |
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| IUPAC Name | 4-isopropenyl-2-methoxy-1-methyl-benzene |
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| COCONUT ID | CNP0254908.0 |
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| CAS | 3794-96-5 |
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| InChIKey | SHZSFIUMTQEXDN-UHFFFAOYSA-N |
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| InChI | InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-7H,1H2,2-4H3 |
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| SMILES | C=C(C)C1=CC=C(C)C(OC)=C1 |
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Properties
| Molecular Formula | C11H14O |
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| Molecular Weight | 162.23 |
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| Exact Mass | 162.10447 |
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| Log P (ALogP) | 3.04 |
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| TPSA | 9.23 |
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| H-Bond Donors / Acceptors | 0 / 1 |
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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 | 0.65 |
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| NP-likeness | 0.05 |
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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 | Benzenoids |
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| Chemical Class | Benzene and substituted derivatives |
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| Chemical Subclass | Phenylpropenes |
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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.
