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

C16H19NO3 — CID 127041682

IUPAC4-hydroxy-3-(2-methoxyphenyl)-6-(2-methylpropyl)-1H-pyridin-2-one
SMILESCOc1ccccc1-c1c(O)cc(CC(C)C)[nH]c1=O
InChIInChI=1S/C16H19NO3/c1-10(2)8-11-9-13(18)15(16(19)17-11)12-6-4-5-7-14(12)20-3/h4-7,9-10H,8H2,1-3H3,(H2,17,18,19)
InChIKeyBCNVQRJAWVZCOK-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.95
Rot. Bonds4

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

4-hydroxy-3-(2-methoxyphenyl)-6-(2-methylpropyl)-1H-pyridin-2-one (PubChem CID 127041682) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-hydroxy-3-(2-methoxyphenyl)-6-(2-methylpropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-methoxyphenyl)-6-(2-methylpropyl)-1H-pyridin-2-one
PubChem CID127041682
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-hydroxy-3-(2-methoxyphenyl)-6-(2-methylpropyl)-1H-pyridin-2-one
SMILESCOc1ccccc1-c1c(O)cc(CC(C)C)[nH]c1=O
InChIInChI=1S/C16H19NO3/c1-10(2)8-11-9-13(18)15(16(19)17-11)12-6-4-5-7-14(12)20-3/h4-7,9-10H,8H2,1-3H3,(H2,17,18,19)
InChIKeyBCNVQRJAWVZCOK-UHFFFAOYSA-N
XLogP2.95
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-methoxyphenyl)-6-(2-methylpropyl)-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-(2-methoxyphenyl)-6-(2-methylpropyl)-1H-pyridin-2-one (CID 127041682) is 4-hydroxy-3-(2-methoxyphenyl)-6-(2-methylpropyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-methoxyphenyl)-6-(2-methylpropyl)-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-(2-methoxyphenyl)-6-(2-methylpropyl)-1H-pyridin-2-one is COc1ccccc1-c1c(O)cc(CC(C)C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-3-(2-methoxyphenyl)-6-(2-methylpropyl)-1H-pyridin-2-one?
The InChIKey is BCNVQRJAWVZCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10(2)8-11-9-13(18)15(16(19)17-11)12-6-4-5-7-14(12)20-3/h4-7,9-10H,8H2,1-3H3,(H2,17,18,19).
What are the key properties of 4-hydroxy-3-(2-methoxyphenyl)-6-(2-methylpropyl)-1H-pyridin-2-one?
4-hydroxy-3-(2-methoxyphenyl)-6-(2-methylpropyl)-1H-pyridin-2-one has a molecular weight of 273.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-methoxyphenyl)-6-(2-methylpropyl)-1H-pyridin-2-one is sourced from PubChem (CID 127041682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).