About 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol
2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol (PubChem CID 101270309) has the molecular formula C22H18O
and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol.
Molecular Properties
| Compound Name | 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol |
| PubChem CID | 101270309 |
| Molecular Formula | C22H18O |
| Molecular Weight | 298.38 g/mol |
| Exact Mass | 298.14 |
| IUPAC Name | 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol |
| SMILES | OCCc1ccc2ccccc2c1-c1cccc2ccccc12 |
| InChI | InChI=1S/C22H18O/c23-15-14-18-13-12-17-7-2-4-10-20(17)22(18)21-11-5-8-16-6-1-3-9-19(16)21/h1-13,23H,14-15H2 |
| InChIKey | GFRYYVBKDNKQGN-UHFFFAOYSA-N |
| XLogP | 5.19 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 298.38 |
| LogP ≤ 5 | 5.19 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol?
The IUPAC name of 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol (CID 101270309) is 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol.
What is the SMILES notation for 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol?
The canonical SMILES for 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol is OCCc1ccc2ccccc2c1-c1cccc2ccccc12.
What is the InChIKey of 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol?
The InChIKey is GFRYYVBKDNKQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c23-15-14-18-13-12-17-7-2-4-10-20(17)22(18)21-11-5-8-16-6-1-3-9-19(16)21/h1-13,23H,14-15H2.
What are the key properties of 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol?
2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol has a molecular weight of 298.38 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol is sourced from PubChem (CID 101270309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).