About 2-methoxy-5-naphthalen-2-ylphenol
2-methoxy-5-naphthalen-2-ylphenol (PubChem CID 53220915) has the molecular formula C17H14O2
and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methoxy-5-naphthalen-2-ylphenol.
Molecular Properties
| Compound Name | 2-methoxy-5-naphthalen-2-ylphenol |
| PubChem CID | 53220915 |
| Molecular Formula | C17H14O2 |
| Molecular Weight | 250.30 g/mol |
| Exact Mass | 250.10 |
| IUPAC Name | 2-methoxy-5-naphthalen-2-ylphenol |
| SMILES | COc1ccc(-c2ccc3ccccc3c2)cc1O |
| InChI | InChI=1S/C17H14O2/c1-19-17-9-8-15(11-16(17)18)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,18H,1H3 |
| InChIKey | JPMSKWVQUPOFBW-UHFFFAOYSA-N |
| XLogP | 4.22 |
| TPSA | 29.46 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 250.30 |
| LogP ≤ 5 | 4.22 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-methoxy-5-naphthalen-2-ylphenol?
The IUPAC name of 2-methoxy-5-naphthalen-2-ylphenol (CID 53220915) is 2-methoxy-5-naphthalen-2-ylphenol.
What is the SMILES notation for 2-methoxy-5-naphthalen-2-ylphenol?
The canonical SMILES for 2-methoxy-5-naphthalen-2-ylphenol is COc1ccc(-c2ccc3ccccc3c2)cc1O.
What is the InChIKey of 2-methoxy-5-naphthalen-2-ylphenol?
The InChIKey is JPMSKWVQUPOFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-19-17-9-8-15(11-16(17)18)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,18H,1H3.
What are the key properties of 2-methoxy-5-naphthalen-2-ylphenol?
2-methoxy-5-naphthalen-2-ylphenol has a molecular weight of 250.30 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-naphthalen-2-ylphenol is sourced from PubChem (CID 53220915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).