1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one

C18H23NO5 — CID 141410735

IUPAC1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCOCCOCCOn1ccc(=O)c(OCc2ccccc2)c1C
InChIInChI=1S/C18H23NO5/c1-15-18(23-14-16-6-4-3-5-7-16)17(20)8-9-19(15)24-13-12-22-11-10-21-2/h3-9H,10-14H2,1-2H3
InChIKeyPPMCPWILWZNIKP-UHFFFAOYSA-N
MW333.38 g/mol
LogP1.83
Rot. Bonds10

About 1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one

1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one (PubChem CID 141410735) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one
PubChem CID141410735
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCOCCOCCOn1ccc(=O)c(OCc2ccccc2)c1C
InChIInChI=1S/C18H23NO5/c1-15-18(23-14-16-6-4-3-5-7-16)17(20)8-9-19(15)24-13-12-22-11-10-21-2/h3-9H,10-14H2,1-2H3
InChIKeyPPMCPWILWZNIKP-UHFFFAOYSA-N
XLogP1.83
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one
CID 158779776
1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid
CID 87289982
1-[(2S)-2-hydroxy-2-phenylethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560126
1-[5-(benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162669599
ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 134464571
2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxypyridin-4-one
CID 164579237
ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate
CID 10338739
(2R)-3-(2-methoxyethyl)-2-methyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 170064827
1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560096
1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162663321
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one (CID 141410735) is 1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one is COCCOCCOn1ccc(=O)c(OCc2ccccc2)c1C.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one?
The InChIKey is PPMCPWILWZNIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-15-18(23-14-16-6-4-3-5-7-16)17(20)8-9-19(15)24-13-12-22-11-10-21-2/h3-9H,10-14H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one?
1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one has a molecular weight of 333.38 g/mol, XLogP of 1.83, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 141410735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).