About 2-methoxy-6-prop-2-enylnaphthalene
2-methoxy-6-prop-2-enylnaphthalene (PubChem CID 55253268) has the molecular formula C14H14O
and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-methoxy-6-prop-2-enylnaphthalene.
Molecular Properties
| Compound Name | 2-methoxy-6-prop-2-enylnaphthalene |
| PubChem CID | 55253268 |
| Molecular Formula | C14H14O |
| Molecular Weight | 198.26 g/mol |
| Exact Mass | 198.10 |
| IUPAC Name | 2-methoxy-6-prop-2-enylnaphthalene |
| SMILES | C=CCc1ccc2cc(OC)ccc2c1 |
| InChI | InChI=1S/C14H14O/c1-3-4-11-5-6-13-10-14(15-2)8-7-12(13)9-11/h3,5-10H,1,4H2,2H3 |
| InChIKey | DVQOTDYKJNEHNJ-UHFFFAOYSA-N |
| XLogP | 3.58 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 198.26 |
| LogP ≤ 5 | 3.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-methoxy-6-prop-2-enylnaphthalene?
The IUPAC name of 2-methoxy-6-prop-2-enylnaphthalene (CID 55253268) is 2-methoxy-6-prop-2-enylnaphthalene.
What is the SMILES notation for 2-methoxy-6-prop-2-enylnaphthalene?
The canonical SMILES for 2-methoxy-6-prop-2-enylnaphthalene is C=CCc1ccc2cc(OC)ccc2c1.
What is the InChIKey of 2-methoxy-6-prop-2-enylnaphthalene?
The InChIKey is DVQOTDYKJNEHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-3-4-11-5-6-13-10-14(15-2)8-7-12(13)9-11/h3,5-10H,1,4H2,2H3.
What are the key properties of 2-methoxy-6-prop-2-enylnaphthalene?
2-methoxy-6-prop-2-enylnaphthalene has a molecular weight of 198.26 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-prop-2-enylnaphthalene is sourced from PubChem (CID 55253268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).