1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one

C17H21NO3 — CID 82518280

IUPAC1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
SMILESCCn1c(-c2cccc(OC(C)C)c2)ccc(CO)c1=O
InChIInChI=1S/C17H21NO3/c1-4-18-16(9-8-14(11-19)17(18)20)13-6-5-7-15(10-13)21-12(2)3/h5-10,12,19H,4,11H2,1-3H3
InChIKeyZPAZFHCPPCJXNP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.81
Rot. Bonds5

About 1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one

1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one (PubChem CID 82518280) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
PubChem CID82518280
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
SMILESCCn1c(-c2cccc(OC(C)C)c2)ccc(CO)c1=O
InChIInChI=1S/C17H21NO3/c1-4-18-16(9-8-14(11-19)17(18)20)13-6-5-7-15(10-13)21-12(2)3/h5-10,12,19H,4,11H2,1-3H3
InChIKeyZPAZFHCPPCJXNP-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518277
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride
CID 82518551
3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518556
6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one
CID 82518367
3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518553
3-amino-6-(3-ethoxyphenyl)-1-ethylpyridin-2-one
CID 82467041
1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
CID 82518296
2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
CID 82518268
[2,4-di(propan-2-yloxy)phenyl]methanol
CID 12071268
1-butyl-3-(hydroxymethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517056
3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one
CID 82518457
1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517103

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one?
The IUPAC name of 1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one (CID 82518280) is 1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one.
What is the SMILES notation for 1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one?
The canonical SMILES for 1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one is CCn1c(-c2cccc(OC(C)C)c2)ccc(CO)c1=O.
What is the InChIKey of 1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one?
The InChIKey is ZPAZFHCPPCJXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-18-16(9-8-14(11-19)17(18)20)13-6-5-7-15(10-13)21-12(2)3/h5-10,12,19H,4,11H2,1-3H3.
What are the key properties of 1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one?
1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one is sourced from PubChem (CID 82518280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).