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

C15H16ClNO3 — CID 159666606

IUPAC3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one
SMILESCOCOc1ccc(-c2ccc(Cl)c(=O)n2C)c(C)c1
InChIInChI=1S/C15H16ClNO3/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
InChIKeyIAOGHYMXUYIJBL-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.00
Rot. Bonds4

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

3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one (PubChem CID 159666606) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one
PubChem CID159666606
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one
SMILESCOCOc1ccc(-c2ccc(Cl)c(=O)n2C)c(C)c1
InChIInChI=1S/C15H16ClNO3/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
InChIKeyIAOGHYMXUYIJBL-UHFFFAOYSA-N
XLogP3.00
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one?
The IUPAC name of 3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one (CID 159666606) is 3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one is COCOc1ccc(-c2ccc(Cl)c(=O)n2C)c(C)c1.
What is the InChIKey of 3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one?
The InChIKey is IAOGHYMXUYIJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/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-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one?
3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one has a molecular weight of 293.75 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 159666606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).