About [2-(4-morpholin-4-ylphenyl)-1-benzofuran-3-yl]methanol
[2-(4-morpholin-4-ylphenyl)-1-benzofuran-3-yl]methanol (PubChem CID 11255320) has the molecular formula C19H19NO3
and a molecular weight of 309.37 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylphenyl)-1-benzofuran-3-yl]methanol.
Molecular Properties
| Compound Name | [2-(4-morpholin-4-ylphenyl)-1-benzofuran-3-yl]methanol |
| PubChem CID | 11255320 |
| Molecular Formula | C19H19NO3 |
| Molecular Weight | 309.37 g/mol |
| Exact Mass | 309.14 |
| IUPAC Name | [2-(4-morpholin-4-ylphenyl)-1-benzofuran-3-yl]methanol |
| SMILES | OCc1c(-c2ccc(N3CCOCC3)cc2)oc2ccccc12 |
| InChI | InChI=1S/C19H19NO3/c21-13-17-16-3-1-2-4-18(16)23-19(17)14-5-7-15(8-6-14)20-9-11-22-12-10-20/h1-8,21H,9-13H2 |
| InChIKey | HEBQOBDFAYDRRP-UHFFFAOYSA-N |
| XLogP | 3.43 |
| TPSA | 45.84 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 309.37 |
| LogP ≤ 5 | 3.43 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of [2-(4-morpholin-4-ylphenyl)-1-benzofuran-3-yl]methanol?
The IUPAC name of [2-(4-morpholin-4-ylphenyl)-1-benzofuran-3-yl]methanol (CID 11255320) is [2-(4-morpholin-4-ylphenyl)-1-benzofuran-3-yl]methanol.
What is the SMILES notation for [2-(4-morpholin-4-ylphenyl)-1-benzofuran-3-yl]methanol?
The canonical SMILES for [2-(4-morpholin-4-ylphenyl)-1-benzofuran-3-yl]methanol is OCc1c(-c2ccc(N3CCOCC3)cc2)oc2ccccc12.
What is the InChIKey of [2-(4-morpholin-4-ylphenyl)-1-benzofuran-3-yl]methanol?
The InChIKey is HEBQOBDFAYDRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-13-17-16-3-1-2-4-18(16)23-19(17)14-5-7-15(8-6-14)20-9-11-22-12-10-20/h1-8,21H,9-13H2.
What are the key properties of [2-(4-morpholin-4-ylphenyl)-1-benzofuran-3-yl]methanol?
[2-(4-morpholin-4-ylphenyl)-1-benzofuran-3-yl]methanol has a molecular weight of 309.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylphenyl)-1-benzofuran-3-yl]methanol is sourced from PubChem (CID 11255320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).