2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride

C17H22ClNO3 — CID 158782849

IUPAC2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride
SMILESCCOCc1c(OCc2ccccc2)c(=O)cc(C)n1C.Cl
InChIInChI=1S/C17H21NO3.ClH/c1-4-20-12-15-17(16(19)10-13(2)18(15)3)21-11-14-8-6-5-7-9-14;/h5-10H,4,11-12H2,1-3H3;1H
InChIKeyIRHNGJOASSIDLT-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.23
Rot. Bonds6

About 2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride

2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride (PubChem CID 158782849) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride
PubChem CID158782849
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride
SMILESCCOCc1c(OCc2ccccc2)c(=O)cc(C)n1C.Cl
InChIInChI=1S/C17H21NO3.ClH/c1-4-20-12-15-17(16(19)10-13(2)18(15)3)21-11-14-8-6-5-7-9-14;/h5-10H,4,11-12H2,1-3H3;1H
InChIKeyIRHNGJOASSIDLT-UHFFFAOYSA-N
XLogP3.23
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one
CID 10913107
2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one
CID 134395764
methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 87212427
1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one
CID 156776485
2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one
CID 156776484
2-(hydroxymethyl)-6-methyl-1-octyl-3-phenylmethoxypyridin-4-one
CID 156776486
N-cyclobutyl-1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 66658948
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042
1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
CID 66941625
(213C)ethoxymethylbenzene
CID 87947851
2-ethyl-1-(2-fluoroethyl)-3-phenylmethoxypyridin-4-one
CID 118407952
N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide
CID 167438203

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride?
The IUPAC name of 2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride (CID 158782849) is 2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride.
What is the SMILES notation for 2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride?
The canonical SMILES for 2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride is CCOCc1c(OCc2ccccc2)c(=O)cc(C)n1C.Cl.
What is the InChIKey of 2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride?
The InChIKey is IRHNGJOASSIDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3.ClH/c1-4-20-12-15-17(16(19)10-13(2)18(15)3)21-11-14-8-6-5-7-9-14;/h5-10H,4,11-12H2,1-3H3;1H.
What are the key properties of 2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride?
2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride is sourced from PubChem (CID 158782849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).