1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one

C18H23NO3 — CID 82518634

IUPAC1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one
SMILESCCn1c(-c2ccccc2OCC(C)C)ccc(CO)c1=O
InChIInChI=1S/C18H23NO3/c1-4-19-16(10-9-14(11-20)18(19)21)15-7-5-6-8-17(15)22-12-13(2)3/h5-10,13,20H,4,11-12H2,1-3H3
InChIKeyYNACQSYDSBTQEC-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.06
Rot. Bonds6

About 1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one

1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one (PubChem CID 82518634) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one
PubChem CID82518634
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one
SMILESCCn1c(-c2ccccc2OCC(C)C)ccc(CO)c1=O
InChIInChI=1S/C18H23NO3/c1-4-19-16(10-9-14(11-20)18(19)21)15-7-5-6-8-17(15)22-12-13(2)3/h5-10,13,20H,4,11-12H2,1-3H3
InChIKeyYNACQSYDSBTQEC-UHFFFAOYSA-N
XLogP3.06
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 82518942
3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one
CID 82467021
3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one
CID 82518736
3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82518673
6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82520319
1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
CID 82518678
1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518280
2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole
CID 82081579
ethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid
CID 69347425
2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid
CID 82444166
3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82467015
6-(2-ethoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 82518873

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one?
The IUPAC name of 1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one (CID 82518634) is 1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one is CCn1c(-c2ccccc2OCC(C)C)ccc(CO)c1=O.
What is the InChIKey of 1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one?
The InChIKey is YNACQSYDSBTQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-4-19-16(10-9-14(11-20)18(19)21)15-7-5-6-8-17(15)22-12-13(2)3/h5-10,13,20H,4,11-12H2,1-3H3.
What are the key properties of 1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one?
1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one has a molecular weight of 301.39 g/mol, XLogP of 3.06, 6 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-[2-(2-methylpropoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 82518634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).