About 1-methoxy-4-(4-methoxyphenyl)tellanylbenzene;dihydrochloride
1-methoxy-4-(4-methoxyphenyl)tellanylbenzene;dihydrochloride (PubChem CID 88732115) has the molecular formula C14H16Cl2O2Te
and a molecular weight of 414.79 g/mol. Its IUPAC name is 1-methoxy-4-(4-methoxyphenyl)tellanylbenzene;dihydrochloride.
Molecular Properties
| Compound Name | 1-methoxy-4-(4-methoxyphenyl)tellanylbenzene;dihydrochloride |
| PubChem CID | 88732115 |
| Molecular Formula | C14H16Cl2O2Te |
| Molecular Weight | 414.79 g/mol |
| Exact Mass | 415.96 |
| IUPAC Name | 1-methoxy-4-(4-methoxyphenyl)tellanylbenzene;dihydrochloride |
| SMILES | COc1ccc([Te]c2ccc(OC)cc2)cc1.Cl.Cl |
| InChI | InChI=1S/C14H14O2Te.2ClH/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14;;/h3-10H,1-2H3;2*1H |
| InChIKey | ZWNTXTHWMRDUKM-UHFFFAOYSA-N |
| XLogP | 2.20 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 414.79 |
| LogP ≤ 5 | 2.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 1-methoxy-4-(4-methoxyphenyl)tellanylbenzene;dihydrochloride?
The IUPAC name of 1-methoxy-4-(4-methoxyphenyl)tellanylbenzene;dihydrochloride (CID 88732115) is 1-methoxy-4-(4-methoxyphenyl)tellanylbenzene;dihydrochloride.
What is the SMILES notation for 1-methoxy-4-(4-methoxyphenyl)tellanylbenzene;dihydrochloride?
The canonical SMILES for 1-methoxy-4-(4-methoxyphenyl)tellanylbenzene;dihydrochloride is COc1ccc([Te]c2ccc(OC)cc2)cc1.Cl.Cl.
What is the InChIKey of 1-methoxy-4-(4-methoxyphenyl)tellanylbenzene;dihydrochloride?
The InChIKey is ZWNTXTHWMRDUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2Te.2ClH/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14;;/h3-10H,1-2H3;2*1H.
What are the key properties of 1-methoxy-4-(4-methoxyphenyl)tellanylbenzene;dihydrochloride?
1-methoxy-4-(4-methoxyphenyl)tellanylbenzene;dihydrochloride has a molecular weight of 414.79 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-methoxyphenyl)tellanylbenzene;dihydrochloride is sourced from PubChem (CID 88732115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).