4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide

C15H15NO3 — CID 103867255

IUPAC4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C15H15NO3/c1-10-8-13(18)6-7-14(10)15(19)16-9-11-2-4-12(17)5-3-11/h2-8,17-18H,9H2,1H3,(H,16,19)
InChIKeyZBGCCMRSPUZZRU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.34
Rot. Bonds3

About 4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide

4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide (PubChem CID 103867255) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
PubChem CID103867255
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C15H15NO3/c1-10-8-13(18)6-7-14(10)15(19)16-9-11-2-4-12(17)5-3-11/h2-8,17-18H,9H2,1H3,(H,16,19)
InChIKeyZBGCCMRSPUZZRU-UHFFFAOYSA-N
XLogP2.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863411
N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide
CID 107670516
N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 107670603
N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289
N-[[4-(chloromethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233380
N-[[4-(bromomethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233714
N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863466
3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115671047
4-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 107233720
4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113341365
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide?
The IUPAC name of 4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide (CID 103867255) is 4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NCc1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide?
The InChIKey is ZBGCCMRSPUZZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-8-13(18)6-7-14(10)15(19)16-9-11-2-4-12(17)5-3-11/h2-8,17-18H,9H2,1H3,(H,16,19).
What are the key properties of 4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide?
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide has a molecular weight of 257.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 103867255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).