About 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol
1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 22935839) has the molecular formula C22H16O2
and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol.
Molecular Properties
| Compound Name | 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol |
| PubChem CID | 22935839 |
| Molecular Formula | C22H16O2 |
| Molecular Weight | 312.37 g/mol |
| Exact Mass | 312.12 |
| IUPAC Name | 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol |
| SMILES | C=COc1ccc2ccccc2c1-c1c(O)ccc2ccccc12 |
| InChI | InChI=1S/C22H16O2/c1-2-24-20-14-12-16-8-4-6-10-18(16)22(20)21-17-9-5-3-7-15(17)11-13-19(21)23/h2-14,23H,1H2 |
| InChIKey | YVZAGKGDSNCOQS-UHFFFAOYSA-N |
| XLogP | 5.89 |
| TPSA | 29.46 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 312.37 |
| LogP ≤ 5 | 5.89 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol (CID 22935839) is 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol is C=COc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is YVZAGKGDSNCOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2/c1-2-24-20-14-12-16-8-4-6-10-18(16)22(20)21-17-9-5-3-7-15(17)11-13-19(21)23/h2-14,23H,1H2.
What are the key properties of 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol?
1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 312.37 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 22935839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).