3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide

C15H15NO3 — CID 64792997

IUPAC3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CO)cc2)cc1O
InChIInChI=1S/C15H15NO3/c1-10-2-5-12(8-14(10)18)15(19)16-13-6-3-11(9-17)4-7-13/h2-8,17-18H,9H2,1H3,(H,16,19)
InChIKeyQLWODCFWSXBHLX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.45
Rot. Bonds3

About 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide

3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide (PubChem CID 64792997) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide
PubChem CID64792997
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CO)cc2)cc1O
InChIInChI=1S/C15H15NO3/c1-10-2-5-12(8-14(10)18)15(19)16-13-6-3-11(9-17)4-7-13/h2-8,17-18H,9H2,1H3,(H,16,19)
InChIKeyQLWODCFWSXBHLX-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
CID 64793175
N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide
CID 64793166
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide
CID 43369113
3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 103956147
N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide
CID 62105051
N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide
CID 122136192
3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601854
3-hydroxy-N-(2-hydroxyethyl)-4-methylbenzamide
CID 43416195
N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide
CID 64792908
N-(4-butylphenyl)-4-hydroxy-3-methylbenzamide
CID 107676610
2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 60825323

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide (CID 64792997) is 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(CO)cc2)cc1O.
What is the InChIKey of 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide?
The InChIKey is QLWODCFWSXBHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-2-5-12(8-14(10)18)15(19)16-13-6-3-11(9-17)4-7-13/h2-8,17-18H,9H2,1H3,(H,16,19).
What are the key properties of 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide?
3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide has a molecular weight of 257.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 64792997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).