About 1-methoxy-2-propylnaphthalene
1-methoxy-2-propylnaphthalene (PubChem CID 19091368) has the molecular formula C14H16O
and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-methoxy-2-propylnaphthalene.
Molecular Properties
| Compound Name | 1-methoxy-2-propylnaphthalene |
| PubChem CID | 19091368 |
| Molecular Formula | C14H16O |
| Molecular Weight | 200.28 g/mol |
| Exact Mass | 200.12 |
| IUPAC Name | 1-methoxy-2-propylnaphthalene |
| SMILES | CCCc1ccc2ccccc2c1OC |
| InChI | InChI=1S/C14H16O/c1-3-6-12-10-9-11-7-4-5-8-13(11)14(12)15-2/h4-5,7-10H,3,6H2,1-2H3 |
| InChIKey | BYDLCKINPVCXFP-UHFFFAOYSA-N |
| XLogP | 3.80 |
| 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 | 200.28 |
| LogP ≤ 5 | 3.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 1-methoxy-2-propylnaphthalene?
The IUPAC name of 1-methoxy-2-propylnaphthalene (CID 19091368) is 1-methoxy-2-propylnaphthalene.
What is the SMILES notation for 1-methoxy-2-propylnaphthalene?
The canonical SMILES for 1-methoxy-2-propylnaphthalene is CCCc1ccc2ccccc2c1OC.
What is the InChIKey of 1-methoxy-2-propylnaphthalene?
The InChIKey is BYDLCKINPVCXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-3-6-12-10-9-11-7-4-5-8-13(11)14(12)15-2/h4-5,7-10H,3,6H2,1-2H3.
What are the key properties of 1-methoxy-2-propylnaphthalene?
1-methoxy-2-propylnaphthalene has a molecular weight of 200.28 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-propylnaphthalene is sourced from PubChem (CID 19091368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).