4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

C15H15NO3 — CID 63311474

IUPAC4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)c1)c1ccc(O)cc1
InChIInChI=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)
InChIKeyMEBZQMMPGPOPIW-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.81
Rot. Bonds4

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 Name4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID63311474
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)c1)c1ccc(O)cc1
InChIInChI=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)
InChIKeyMEBZQMMPGPOPIW-UHFFFAOYSA-N
XLogP1.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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).