6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one

C17H21NO3 — CID 82518367

IUPAC6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one
SMILESCCOc1cccc(-c2ccc(CO)c(=O)n2C(C)C)c1
InChIInChI=1S/C17H21NO3/c1-4-21-15-7-5-6-13(10-15)16-9-8-14(11-19)17(20)18(16)12(2)3/h5-10,12,19H,4,11H2,1-3H3
InChIKeyVJTMLKICBFFDDT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.99
Rot. Bonds5

About 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one

6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one (PubChem CID 82518367) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one
PubChem CID82518367
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one
SMILESCCOc1cccc(-c2ccc(CO)c(=O)n2C(C)C)c1
InChIInChI=1S/C17H21NO3/c1-4-21-15-7-5-6-13(10-15)16-9-8-14(11-19)17(20)18(16)12(2)3/h5-10,12,19H,4,11H2,1-3H3
InChIKeyVJTMLKICBFFDDT-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylaminomethyl)-6-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82518544
6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 82518431
3-amino-6-(3-ethoxyphenyl)-1-ethylpyridin-2-one
CID 82467041
3-(1-aminoethyl)-6-(4-ethoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82517914
2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
CID 82518268
6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 82518322
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82517921
(E)-3-[6-(3-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid
CID 82518392
3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 82518417
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide
CID 82517919
methyl 5-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222769
3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82518171

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one (CID 82518367) is 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one is CCOc1cccc(-c2ccc(CO)c(=O)n2C(C)C)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one?
The InChIKey is VJTMLKICBFFDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-21-15-7-5-6-13(10-15)16-9-8-14(11-19)17(20)18(16)12(2)3/h5-10,12,19H,4,11H2,1-3H3.
What are the key properties of 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one?
6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82518367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).