About 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol
3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol (PubChem CID 75952248) has the molecular formula C19H16O3
and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol.
Molecular Properties
| Compound Name | 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol |
| PubChem CID | 75952248 |
| Molecular Formula | C19H16O3 |
| Molecular Weight | 292.33 g/mol |
| Exact Mass | 292.11 |
| IUPAC Name | 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol |
| SMILES | COc1cc(O)cc(C=COc2ccc3ccccc3c2)c1 |
| InChI | InChI=1S/C19H16O3/c1-21-19-11-14(10-17(20)13-19)8-9-22-18-7-6-15-4-2-3-5-16(15)12-18/h2-13,20H,1H3 |
| InChIKey | QOQGRVLUVSTRPT-UHFFFAOYSA-N |
| XLogP | 4.60 |
| TPSA | 38.69 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 292.33 |
| LogP ≤ 5 | 4.60 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol?
The IUPAC name of 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol (CID 75952248) is 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol.
What is the SMILES notation for 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol?
The canonical SMILES for 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol is COc1cc(O)cc(C=COc2ccc3ccccc3c2)c1.
What is the InChIKey of 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol?
The InChIKey is QOQGRVLUVSTRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-21-19-11-14(10-17(20)13-19)8-9-22-18-7-6-15-4-2-3-5-16(15)12-18/h2-13,20H,1H3.
What are the key properties of 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol?
3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol has a molecular weight of 292.33 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol is sourced from PubChem (CID 75952248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).