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

C18H23NO3 — CID 156776485

IUPAC1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one
SMILESCCCCn1c(C)cc(=O)c(OCc2ccccc2)c1CO
InChIInChI=1S/C18H23NO3/c1-3-4-10-19-14(2)11-17(21)18(16(19)12-20)22-13-15-8-6-5-7-9-15/h5-9,11,20H,3-4,10,12-13H2,1-2H3
InChIKeySUNLLUSKJGSSGI-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.03
Rot. Bonds7

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

1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one (PubChem CID 156776485) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one
PubChem CID156776485
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one
SMILESCCCCn1c(C)cc(=O)c(OCc2ccccc2)c1CO
InChIInChI=1S/C18H23NO3/c1-3-4-10-19-14(2)11-17(21)18(16(19)12-20)22-13-15-8-6-5-7-9-15/h5-9,11,20H,3-4,10,12-13H2,1-2H3
InChIKeySUNLLUSKJGSSGI-UHFFFAOYSA-N
XLogP3.03
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(hydroxymethyl)-6-methyl-1-octyl-3-phenylmethoxypyridin-4-one
CID 156776486
2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one
CID 156776484
2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one
CID 10913107
N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide
CID 167438203
1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
CID 66941625
2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride
CID 158782849
1-butyl-7-hydroxy-3,4-bis(phenylmethoxy)quinolin-2-one
CID 139717687
6-methyl-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid
CID 66941827
7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one
CID 139717487
1-butyl-4-hexoxy-3,7-bis(phenylmethoxy)quinolin-2-one
CID 139718064
3-butoxy-7-hydroxy-1-octyl-4-phenylmethoxyquinolin-2-one
CID 139718046
7-butoxy-1-octyl-3,4-bis(phenylmethoxy)quinolin-2-one
CID 139717414

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one (CID 156776485) is 1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one is CCCCn1c(C)cc(=O)c(OCc2ccccc2)c1CO.
What is the InChIKey of 1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one?
The InChIKey is SUNLLUSKJGSSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-4-10-19-14(2)11-17(21)18(16(19)12-20)22-13-15-8-6-5-7-9-15/h5-9,11,20H,3-4,10,12-13H2,1-2H3.
What are the key properties of 1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one?
1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one has a molecular weight of 301.39 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 156776485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).