About 2-methoxy-6-phenylpyran-4-one
2-methoxy-6-phenylpyran-4-one (PubChem CID 568371) has the molecular formula C12H10O3
and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-methoxy-6-phenylpyran-4-one.
Molecular Properties
| Compound Name | 2-methoxy-6-phenylpyran-4-one |
|---|
| PubChem CID | 568371 |
|---|
| Molecular Formula | C12H10O3 |
|---|
| Molecular Weight | 202.21 g/mol |
|---|
| Exact Mass | 202.06 |
|---|
| IUPAC Name | 2-methoxy-6-phenylpyran-4-one |
|---|
| SMILES | COc1cc(=O)cc(-c2ccccc2)o1 |
|---|
| InChI | InChI=1S/C12H10O3/c1-14-12-8-10(13)7-11(15-12)9-5-3-2-4-6-9/h2-8H,1H3 |
|---|
| InChIKey | FONPQIXOLUNZEO-UHFFFAOYSA-N |
|---|
| XLogP | 2.32 |
|---|
| TPSA | 39.44 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 2 |
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| Heavy Atoms | 15 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 202.21 |
| LogP ≤ 5 | 2.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-methoxy-6-phenylpyran-4-one?
The IUPAC name of 2-methoxy-6-phenylpyran-4-one (CID 568371) is 2-methoxy-6-phenylpyran-4-one.
What is the SMILES notation for 2-methoxy-6-phenylpyran-4-one?
The canonical SMILES for 2-methoxy-6-phenylpyran-4-one is COc1cc(=O)cc(-c2ccccc2)o1.
What is the InChIKey of 2-methoxy-6-phenylpyran-4-one?
The InChIKey is FONPQIXOLUNZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-14-12-8-10(13)7-11(15-12)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 2-methoxy-6-phenylpyran-4-one?
2-methoxy-6-phenylpyran-4-one has a molecular weight of 202.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-phenylpyran-4-one is sourced from PubChem (CID 568371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).