4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one

C13H13NO3 — CID 118471216

IUPAC4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one
SMILESCOc1cccc(Cc2cc(O)cc(=O)[nH]2)c1
InChIInChI=1S/C13H13NO3/c1-17-12-4-2-3-9(6-12)5-10-7-11(15)8-13(16)14-10/h2-4,6-8H,5H2,1H3,(H2,14,15,16)
InChIKeyBUPIXZMKHCUBED-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.68
Rot. Bonds3

About 4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one

4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one (PubChem CID 118471216) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one
PubChem CID118471216
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one
SMILESCOc1cccc(Cc2cc(O)cc(=O)[nH]2)c1
InChIInChI=1S/C13H13NO3/c1-17-12-4-2-3-9(6-12)5-10-7-11(15)8-13(16)14-10/h2-4,6-8H,5H2,1H3,(H2,14,15,16)
InChIKeyBUPIXZMKHCUBED-UHFFFAOYSA-N
XLogP1.68
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxyphenyl)methyl]-1H-pyrrole
CID 12872045
3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 11769880
4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 135975552
(3-methoxyphenyl)(113C)methanol
CID 11593446
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 67492155
4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 136729467
3-[2-[(3-methoxyphenyl)methyl]-1H-imidazol-5-yl]propanoic acid
CID 95466644
5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 114204923
1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine
CID 174765518
5-methoxy-2-[(3-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 65483071
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one (CID 118471216) is 4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one is COc1cccc(Cc2cc(O)cc(=O)[nH]2)c1.
What is the InChIKey of 4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one?
The InChIKey is BUPIXZMKHCUBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-17-12-4-2-3-9(6-12)5-10-7-11(15)8-13(16)14-10/h2-4,6-8H,5H2,1H3,(H2,14,15,16).
What are the key properties of 4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one?
4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 118471216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).