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

C13H13NO3 — CID 54719907

IUPAC4-hydroxy-3-(4-methoxyphenyl)-6-methyl-1H-pyridin-2-one
SMILESCOc1ccc(-c2c(O)cc(C)[nH]c2=O)cc1
InChIInChI=1S/C13H13NO3/c1-8-7-11(15)12(13(16)14-8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyVTGVZMPCCIFJPW-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.06
Rot. Bonds2

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

4-hydroxy-3-(4-methoxyphenyl)-6-methyl-1H-pyridin-2-one (PubChem CID 54719907) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-hydroxy-3-(4-methoxyphenyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(4-methoxyphenyl)-6-methyl-1H-pyridin-2-one
PubChem CID54719907
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-hydroxy-3-(4-methoxyphenyl)-6-methyl-1H-pyridin-2-one
SMILESCOc1ccc(-c2c(O)cc(C)[nH]c2=O)cc1
InChIInChI=1S/C13H13NO3/c1-8-7-11(15)12(13(16)14-8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyVTGVZMPCCIFJPW-UHFFFAOYSA-N
XLogP2.06
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-methoxyphenyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-(4-methoxyphenyl)-6-methyl-1H-pyridin-2-one (CID 54719907) is 4-hydroxy-3-(4-methoxyphenyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-(4-methoxyphenyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-(4-methoxyphenyl)-6-methyl-1H-pyridin-2-one is COc1ccc(-c2c(O)cc(C)[nH]c2=O)cc1.
What is the InChIKey of 4-hydroxy-3-(4-methoxyphenyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is VTGVZMPCCIFJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-7-11(15)12(13(16)14-8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H2,14,15,16).
What are the key properties of 4-hydroxy-3-(4-methoxyphenyl)-6-methyl-1H-pyridin-2-one?
4-hydroxy-3-(4-methoxyphenyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 231.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-methoxyphenyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54719907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).