About [4-(4-methoxyphenoxy)phenyl] formate
[4-(4-methoxyphenoxy)phenyl] formate (PubChem CID 88935611) has the molecular formula C14H12O4
and a molecular weight of 244.25 g/mol. Its IUPAC name is [4-(4-methoxyphenoxy)phenyl] formate.
Molecular Properties
| Compound Name | [4-(4-methoxyphenoxy)phenyl] formate |
| PubChem CID | 88935611 |
| Molecular Formula | C14H12O4 |
| Molecular Weight | 244.25 g/mol |
| Exact Mass | 244.07 |
| IUPAC Name | [4-(4-methoxyphenoxy)phenyl] formate |
| SMILES | COc1ccc(Oc2ccc(OC=O)cc2)cc1 |
| InChI | InChI=1S/C14H12O4/c1-16-11-2-6-13(7-3-11)18-14-8-4-12(5-9-14)17-10-15/h2-10H,1H3 |
| InChIKey | RSZJORXYHRJCIL-UHFFFAOYSA-N |
| XLogP | 3.02 |
| TPSA | 44.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 244.25 |
| LogP ≤ 5 | 3.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [4-(4-methoxyphenoxy)phenyl] formate?
The IUPAC name of [4-(4-methoxyphenoxy)phenyl] formate (CID 88935611) is [4-(4-methoxyphenoxy)phenyl] formate.
What is the SMILES notation for [4-(4-methoxyphenoxy)phenyl] formate?
The canonical SMILES for [4-(4-methoxyphenoxy)phenyl] formate is COc1ccc(Oc2ccc(OC=O)cc2)cc1.
What is the InChIKey of [4-(4-methoxyphenoxy)phenyl] formate?
The InChIKey is RSZJORXYHRJCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-16-11-2-6-13(7-3-11)18-14-8-4-12(5-9-14)17-10-15/h2-10H,1H3.
What are the key properties of [4-(4-methoxyphenoxy)phenyl] formate?
[4-(4-methoxyphenoxy)phenyl] formate has a molecular weight of 244.25 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenoxy)phenyl] formate is sourced from PubChem (CID 88935611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).