3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one

C15H17NO2 — CID 82520486

IUPAC3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
SMILESCC(C)c1ccc(-c2ccc(CO)c(=O)[nH]2)cc1
InChIInChI=1S/C15H17NO2/c1-10(2)11-3-5-12(6-4-11)14-8-7-13(9-17)15(18)16-14/h3-8,10,17H,9H2,1-2H3,(H,16,18)
InChIKeyQLWCMLDGRXONNJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.66
Rot. Bonds3

About 3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one

3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one (PubChem CID 82520486) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
PubChem CID82520486
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
SMILESCC(C)c1ccc(-c2ccc(CO)c(=O)[nH]2)cc1
InChIInChI=1S/C15H17NO2/c1-10(2)11-3-5-12(6-4-11)14-8-7-13(9-17)15(18)16-14/h3-8,10,17H,9H2,1-2H3,(H,16,18)
InChIKeyQLWCMLDGRXONNJ-UHFFFAOYSA-N
XLogP2.66
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(bromomethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
CID 82520471
3-(hydroxymethyl)-6-phenyl-1H-pyridin-2-one
CID 82521366
3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
CID 82520467
3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one
CID 176681559
3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517389
6-(4-methylphenyl)-3-[(propan-2-ylamino)methyl]-1H-pyridin-2-one
CID 82520970
6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 82518431
3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one
CID 82517876
[2-(4-propan-2-ylphenyl)phenyl]methanol
CID 69041702
3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one
CID 82519382
3-(hydroxymethyl)-6-(3-nitrophenyl)-1H-pyridin-2-one
CID 82517149
1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82520385

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one (CID 82520486) is 3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one is CC(C)c1ccc(-c2ccc(CO)c(=O)[nH]2)cc1.
What is the InChIKey of 3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one?
The InChIKey is QLWCMLDGRXONNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10(2)11-3-5-12(6-4-11)14-8-7-13(9-17)15(18)16-14/h3-8,10,17H,9H2,1-2H3,(H,16,18).
What are the key properties of 3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one?
3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 82520486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).