About 2-cyclopentyl-6-methoxynaphthalene
2-cyclopentyl-6-methoxynaphthalene (PubChem CID 67100251) has the molecular formula C16H18O
and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-cyclopentyl-6-methoxynaphthalene.
Molecular Properties
| Compound Name | 2-cyclopentyl-6-methoxynaphthalene |
| PubChem CID | 67100251 |
| Molecular Formula | C16H18O |
| Molecular Weight | 226.32 g/mol |
| Exact Mass | 226.14 |
| IUPAC Name | 2-cyclopentyl-6-methoxynaphthalene |
| SMILES | COc1ccc2cc(C3CCCC3)ccc2c1 |
| InChI | InChI=1S/C16H18O/c1-17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-3-5-12/h6-12H,2-5H2,1H3 |
| InChIKey | COHAXPXDHHUETH-UHFFFAOYSA-N |
| XLogP | 4.51 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 226.32 |
| LogP ≤ 5 | 4.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-cyclopentyl-6-methoxynaphthalene?
The IUPAC name of 2-cyclopentyl-6-methoxynaphthalene (CID 67100251) is 2-cyclopentyl-6-methoxynaphthalene.
What is the SMILES notation for 2-cyclopentyl-6-methoxynaphthalene?
The canonical SMILES for 2-cyclopentyl-6-methoxynaphthalene is COc1ccc2cc(C3CCCC3)ccc2c1.
What is the InChIKey of 2-cyclopentyl-6-methoxynaphthalene?
The InChIKey is COHAXPXDHHUETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-3-5-12/h6-12H,2-5H2,1H3.
What are the key properties of 2-cyclopentyl-6-methoxynaphthalene?
2-cyclopentyl-6-methoxynaphthalene has a molecular weight of 226.32 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-methoxynaphthalene is sourced from PubChem (CID 67100251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).