3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one

C17H21NO3 — CID 82518942

IUPAC3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCOc1ccccc1-c1ccc(CO)c(=O)n1CC(C)C
InChIInChI=1S/C17H21NO3/c1-12(2)10-18-15(9-8-13(11-19)17(18)20)14-6-4-5-7-16(14)21-3/h4-9,12,19H,10-11H2,1-3H3
InChIKeyKQLMKMXUEDCKEW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.67
Rot. Bonds5

About 3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one

3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one (PubChem CID 82518942) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
PubChem CID82518942
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCOc1ccccc1-c1ccc(CO)c(=O)n1CC(C)C
InChIInChI=1S/C17H21NO3/c1-12(2)10-18-15(9-8-13(11-19)17(18)20)14-6-4-5-7-16(14)21-3/h4-9,12,19H,10-11H2,1-3H3
InChIKeyKQLMKMXUEDCKEW-UHFFFAOYSA-N
XLogP2.67
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one (CID 82518942) is 3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one is COc1ccccc1-c1ccc(CO)c(=O)n1CC(C)C.
What is the InChIKey of 3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is KQLMKMXUEDCKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(2)10-18-15(9-8-13(11-19)17(18)20)14-6-4-5-7-16(14)21-3/h4-9,12,19H,10-11H2,1-3H3.
What are the key properties of 3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one?
3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 82518942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).