3-hydroxy-1-[(2-methoxyphenyl)methyl]-2-methylpyridin-4-one;hydrochloride

C14H16ClNO3 — CID 164624981

IUPAC3-hydroxy-1-[(2-methoxyphenyl)methyl]-2-methylpyridin-4-one;hydrochloride
SMILESCOc1ccccc1Cn1ccc(=O)c(O)c1C.Cl
InChIInChI=1S/C14H15NO3.ClH/c1-10-14(17)12(16)7-8-15(10)9-11-5-3-4-6-13(11)18-2;/h3-8,17H,9H2,1-2H3;1H
InChIKeyCHASUZMONKQMSX-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.34
Rot. Bonds3

About 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2-methylpyridin-4-one;hydrochloride

3-hydroxy-1-[(2-methoxyphenyl)methyl]-2-methylpyridin-4-one;hydrochloride (PubChem CID 164624981) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2-methylpyridin-4-one;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-1-[(2-methoxyphenyl)methyl]-2-methylpyridin-4-one;hydrochloride
PubChem CID164624981
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name3-hydroxy-1-[(2-methoxyphenyl)methyl]-2-methylpyridin-4-one;hydrochloride
SMILESCOc1ccccc1Cn1ccc(=O)c(O)c1C.Cl
InChIInChI=1S/C14H15NO3.ClH/c1-10-14(17)12(16)7-8-15(10)9-11-5-3-4-6-13(11)18-2;/h3-8,17H,9H2,1-2H3;1H
InChIKeyCHASUZMONKQMSX-UHFFFAOYSA-N
XLogP2.34
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2-methylpyridin-4-one;hydrochloride?
The IUPAC name of 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2-methylpyridin-4-one;hydrochloride (CID 164624981) is 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2-methylpyridin-4-one;hydrochloride.
What is the SMILES notation for 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2-methylpyridin-4-one;hydrochloride?
The canonical SMILES for 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2-methylpyridin-4-one;hydrochloride is COc1ccccc1Cn1ccc(=O)c(O)c1C.Cl.
What is the InChIKey of 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2-methylpyridin-4-one;hydrochloride?
The InChIKey is CHASUZMONKQMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3.ClH/c1-10-14(17)12(16)7-8-15(10)9-11-5-3-4-6-13(11)18-2;/h3-8,17H,9H2,1-2H3;1H.
What are the key properties of 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2-methylpyridin-4-one;hydrochloride?
3-hydroxy-1-[(2-methoxyphenyl)methyl]-2-methylpyridin-4-one;hydrochloride has a molecular weight of 281.74 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2-methylpyridin-4-one;hydrochloride is sourced from PubChem (CID 164624981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).