1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one

C14H15NO2 — CID 55153499

IUPAC1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one
SMILESCc1ccn(CC(O)c2ccccc2)c(=O)c1
InChIInChI=1S/C14H15NO2/c1-11-7-8-15(14(17)9-11)10-13(16)12-5-3-2-4-6-12/h2-9,13,16H,10H2,1H3
InChIKeyOBCXWMLEHIEONA-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.89
Rot. Bonds3

About 1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one

1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one (PubChem CID 55153499) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one
PubChem CID55153499
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one
SMILESCc1ccn(CC(O)c2ccccc2)c(=O)c1
InChIInChI=1S/C14H15NO2/c1-11-7-8-15(14(17)9-11)10-13(16)12-5-3-2-4-6-12/h2-9,13,16H,10H2,1H3
InChIKeyOBCXWMLEHIEONA-UHFFFAOYSA-N
XLogP1.89
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one
CID 62963596
1-[(2S)-2-hydroxy-2-phenylethyl]pyridin-2-one
CID 36689704
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-4-methylpyridin-2-one
CID 62963594
1-(3-amino-2-hydroxypropyl)-4-methylpyridin-2-one
CID 62962681
1-[2-hydroxy-3-(methylamino)propyl]-4-methylpyridin-2-one
CID 62962682
1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one
CID 104753235
(2S)-N-methyl-2-[[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]amino]-2-phenylacetamide
CID 97007888
3-(2-hydroxy-2-phenylethyl)-5-methyl-1,3-benzoxazol-2-one
CID 91356447
1-[(2S)-2-hydroxy-2-phenylethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560126
3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one
CID 63769900
1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one
CID 21492519
2-(2-hydroxy-2-phenylethyl)-5-methyl-3H-isoindol-1-one
CID 90873430

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one (CID 55153499) is 1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one is Cc1ccn(CC(O)c2ccccc2)c(=O)c1.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one?
The InChIKey is OBCXWMLEHIEONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-11-7-8-15(14(17)9-11)10-13(16)12-5-3-2-4-6-12/h2-9,13,16H,10H2,1H3.
What are the key properties of 1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one?
1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 55153499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).