About 2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium
2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium (PubChem CID 58813865) has the molecular formula C14H8OY-2
and a molecular weight of 281.12 g/mol. Its IUPAC name is 2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium.
Molecular Properties
| Compound Name | 2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium |
| PubChem CID | 58813865 |
| Molecular Formula | C14H8OY-2 |
| Molecular Weight | 281.12 g/mol |
| Exact Mass | 280.96 |
| IUPAC Name | 2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium |
| SMILES | [Y].[c-]1ccoc1-c1[c-]ccc2ccccc12 |
| InChI | InChI=1S/C14H8O.Y/c1-2-7-12-11(5-1)6-3-8-13(12)14-9-4-10-15-14;/h1-7,10H;/q-2; |
| InChIKey | YSYILFRCVBUZPG-UHFFFAOYSA-N |
| XLogP | 3.70 |
| TPSA | 13.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 281.12 |
| LogP ≤ 5 | 3.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze 2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium?
The IUPAC name of 2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium (CID 58813865) is 2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium.
What is the SMILES notation for 2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium?
The canonical SMILES for 2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium is [Y].[c-]1ccoc1-c1[c-]ccc2ccccc12.
What is the InChIKey of 2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium?
The InChIKey is YSYILFRCVBUZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O.Y/c1-2-7-12-11(5-1)6-3-8-13(12)14-9-4-10-15-14;/h1-7,10H;/q-2;.
What are the key properties of 2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium?
2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium has a molecular weight of 281.12 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium is sourced from PubChem (CID 58813865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).