2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one

C22H23NO3 — CID 156776484

IUPAC2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one
SMILESCc1cc(=O)c(OCc2ccccc2)c(CO)n1CCc1ccccc1
InChIInChI=1S/C22H23NO3/c1-17-14-21(25)22(26-16-19-10-6-3-7-11-19)20(15-24)23(17)13-12-18-8-4-2-5-9-18/h2-11,14,24H,12-13,15-16H2,1H3
InChIKeyVFOAABFZEWEEPK-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.47
Rot. Bonds7

About 2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one

2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one (PubChem CID 156776484) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one
PubChem CID156776484
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one
SMILESCc1cc(=O)c(OCc2ccccc2)c(CO)n1CCc1ccccc1
InChIInChI=1S/C22H23NO3/c1-17-14-21(25)22(26-16-19-10-6-3-7-11-19)20(15-24)23(17)13-12-18-8-4-2-5-9-18/h2-11,14,24H,12-13,15-16H2,1H3
InChIKeyVFOAABFZEWEEPK-UHFFFAOYSA-N
XLogP3.47
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one
CID 156776485
2-(hydroxymethyl)-6-methyl-1-octyl-3-phenylmethoxypyridin-4-one
CID 156776486
1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
CID 66941625
2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one
CID 10913107
2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride
CID 158782849
6-methyl-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid
CID 66941827
2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one
CID 134395764
N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide
CID 167438203
2,6-bis(hydroxymethyl)-3-phenylmethoxypyran-4-one
CID 18428308
methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 87212427
N-cyclobutyl-1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 66658948
6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one
CID 145480651

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one?
The IUPAC name of 2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one (CID 156776484) is 2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one is Cc1cc(=O)c(OCc2ccccc2)c(CO)n1CCc1ccccc1.
What is the InChIKey of 2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one?
The InChIKey is VFOAABFZEWEEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-17-14-21(25)22(26-16-19-10-6-3-7-11-19)20(15-24)23(17)13-12-18-8-4-2-5-9-18/h2-11,14,24H,12-13,15-16H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one?
2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one has a molecular weight of 349.43 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 156776484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).