3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one

C15H16INO3 — CID 159322458

IUPAC3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one
SMILESCOCOc1ccc(-c2ccc(I)c(=O)n2C)c(C)c1
InChIInChI=1S/C15H16INO3/c1-10-8-11(20-9-19-3)4-5-12(10)14-7-6-13(16)15(18)17(14)2/h4-8H,9H2,1-3H3
InChIKeyAGRRUROVKUWOKG-UHFFFAOYSA-N
MW385.20 g/mol
LogP2.95
Rot. Bonds4

About 3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one

3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one (PubChem CID 159322458) has the molecular formula C15H16INO3 and a molecular weight of 385.20 g/mol. Its IUPAC name is 3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one
PubChem CID159322458
Molecular FormulaC15H16INO3
Molecular Weight385.20 g/mol
Exact Mass385.02
IUPAC Name3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one
SMILESCOCOc1ccc(-c2ccc(I)c(=O)n2C)c(C)c1
InChIInChI=1S/C15H16INO3/c1-10-8-11(20-9-19-3)4-5-12(10)14-7-6-13(16)15(18)17(14)2/h4-8H,9H2,1-3H3
InChIKeyAGRRUROVKUWOKG-UHFFFAOYSA-N
XLogP2.95
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one
CID 159666606
3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one
CID 157332522
6-(4-methoxy-2-methylphenyl)-1,3-dimethylpyridin-2-one
CID 159172833
3-bromo-1-(2,2-difluoroethyl)-6-[4-(methoxymethoxy)-2-methylphenyl]pyridin-2-one
CID 158395133
3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one
CID 158562062
2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 158034417
2-[4-(5-bromo-1-methyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
CID 160578621
6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one
CID 118448854
2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene
CID 150296892
6-(4-hydroxy-2-methylphenyl)-1,3-dimethylpyridin-2-one
CID 148609318
1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one
CID 161221111
1,4-bis(methoxymethoxy)benzene
CID 542643

Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one?
The IUPAC name of 3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one (CID 159322458) is 3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one is COCOc1ccc(-c2ccc(I)c(=O)n2C)c(C)c1.
What is the InChIKey of 3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one?
The InChIKey is AGRRUROVKUWOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO3/c1-10-8-11(20-9-19-3)4-5-12(10)14-7-6-13(16)15(18)17(14)2/h4-8H,9H2,1-3H3.
What are the key properties of 3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one?
3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one has a molecular weight of 385.20 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 159322458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).