3-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one

C21H19Cl2NO2 — CID 1479279

IUPAC3-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one
SMILESCc1ccc(Cn2ccc(=O)c(OCc3c(Cl)cccc3Cl)c2C)cc1
InChIInChI=1S/C21H19Cl2NO2/c1-14-6-8-16(9-7-14)12-24-11-10-20(25)21(15(24)2)26-13-17-18(22)4-3-5-19(17)23/h3-11H,12-13H2,1-2H3
InChIKeyDXJCNEPTBOKQSE-UHFFFAOYSA-N
MW388.29 g/mol
LogP5.40
Rot. Bonds5

About 3-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one

3-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one (PubChem CID 1479279) has the molecular formula C21H19Cl2NO2 and a molecular weight of 388.29 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one
PubChem CID1479279
Molecular FormulaC21H19Cl2NO2
Molecular Weight388.29 g/mol
Exact Mass387.08
IUPAC Name3-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one
SMILESCc1ccc(Cn2ccc(=O)c(OCc3c(Cl)cccc3Cl)c2C)cc1
InChIInChI=1S/C21H19Cl2NO2/c1-14-6-8-16(9-7-14)12-24-11-10-20(25)21(15(24)2)26-13-17-18(22)4-3-5-19(17)23/h3-11H,12-13H2,1-2H3
InChIKeyDXJCNEPTBOKQSE-UHFFFAOYSA-N
XLogP5.40
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.29
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one?
The IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one (CID 1479279) is 3-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one is Cc1ccc(Cn2ccc(=O)c(OCc3c(Cl)cccc3Cl)c2C)cc1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one?
The InChIKey is DXJCNEPTBOKQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO2/c1-14-6-8-16(9-7-14)12-24-11-10-20(25)21(15(24)2)26-13-17-18(22)4-3-5-19(17)23/h3-11H,12-13H2,1-2H3.
What are the key properties of 3-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one?
3-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one has a molecular weight of 388.29 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one is sourced from PubChem (CID 1479279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).