About 4-ethenyl-3-naphthalen-2-ylphenol
4-ethenyl-3-naphthalen-2-ylphenol (PubChem CID 18949651) has the molecular formula C18H14O
and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-ethenyl-3-naphthalen-2-ylphenol.
Molecular Properties
| Compound Name | 4-ethenyl-3-naphthalen-2-ylphenol |
| PubChem CID | 18949651 |
| Molecular Formula | C18H14O |
| Molecular Weight | 246.31 g/mol |
| Exact Mass | 246.10 |
| IUPAC Name | 4-ethenyl-3-naphthalen-2-ylphenol |
| SMILES | C=Cc1ccc(O)cc1-c1ccc2ccccc2c1 |
| InChI | InChI=1S/C18H14O/c1-2-13-9-10-17(19)12-18(13)16-8-7-14-5-3-4-6-15(14)11-16/h2-12,19H,1H2 |
| InChIKey | KHOOLAQIKSZLBA-UHFFFAOYSA-N |
| XLogP | 4.86 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 246.31 |
| LogP ≤ 5 | 4.86 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 4-ethenyl-3-naphthalen-2-ylphenol?
The IUPAC name of 4-ethenyl-3-naphthalen-2-ylphenol (CID 18949651) is 4-ethenyl-3-naphthalen-2-ylphenol.
What is the SMILES notation for 4-ethenyl-3-naphthalen-2-ylphenol?
The canonical SMILES for 4-ethenyl-3-naphthalen-2-ylphenol is C=Cc1ccc(O)cc1-c1ccc2ccccc2c1.
What is the InChIKey of 4-ethenyl-3-naphthalen-2-ylphenol?
The InChIKey is KHOOLAQIKSZLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c1-2-13-9-10-17(19)12-18(13)16-8-7-14-5-3-4-6-15(14)11-16/h2-12,19H,1H2.
What are the key properties of 4-ethenyl-3-naphthalen-2-ylphenol?
4-ethenyl-3-naphthalen-2-ylphenol has a molecular weight of 246.31 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-naphthalen-2-ylphenol is sourced from PubChem (CID 18949651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).