About 4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 63311474) has the molecular formula C15H15NO3
and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.
Molecular Properties
| Compound Name | 4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide |
| PubChem CID | 63311474 |
| Molecular Formula | C15H15NO3 |
| Molecular Weight | 257.29 g/mol |
| Exact Mass | 257.11 |
| IUPAC Name | 4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide |
| SMILES | O=C(NCc1cccc(CO)c1)c1ccc(O)cc1 |
| InChI | InChI=1S/C15H15NO3/c17-10-12-3-1-2-11(8-12)9-16-15(19)13-4-6-14(18)7-5-13/h1-8,17-18H,9-10H2,(H,16,19) |
| InChIKey | MEBZQMMPGPOPIW-UHFFFAOYSA-N |
| XLogP | 1.81 |
| TPSA | 69.56 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 257.29 |
| LogP ≤ 5 | 1.81 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (CID 63311474) is 4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(CO)c1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is MEBZQMMPGPOPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-10-12-3-1-2-11(8-12)9-16-15(19)13-4-6-14(18)7-5-13/h1-8,17-18H,9-10H2,(H,16,19).
What are the key properties of 4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 257.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 63311474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).