4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one

C16H18INO2 — CID 3011697

IUPAC4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(I)c1Oc1cc(C)cc(C)c1
InChIInChI=1S/C16H18INO2/c1-5-13-11(4)18-16(19)14(17)15(13)20-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyRGFNVBZLENOGJK-UHFFFAOYSA-N
MW383.23 g/mol
LogP4.26
Rot. Bonds3

About 4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one

4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one (PubChem CID 3011697) has the molecular formula C16H18INO2 and a molecular weight of 383.23 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one
PubChem CID3011697
Molecular FormulaC16H18INO2
Molecular Weight383.23 g/mol
Exact Mass383.04
IUPAC Name4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(I)c1Oc1cc(C)cc(C)c1
InChIInChI=1S/C16H18INO2/c1-5-13-11(4)18-16(19)14(17)15(13)20-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyRGFNVBZLENOGJK-UHFFFAOYSA-N
XLogP4.26
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one (CID 3011697) is 4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one is CCc1c(C)[nH]c(=O)c(I)c1Oc1cc(C)cc(C)c1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one?
The InChIKey is RGFNVBZLENOGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO2/c1-5-13-11(4)18-16(19)14(17)15(13)20-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,18,19).
What are the key properties of 4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one?
4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one has a molecular weight of 383.23 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 3011697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).