3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one

C18H13Cl2NO2 — CID 171978029

IUPAC3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one
SMILESCc1ccc(Cl)cc1Oc1ccc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C18H13Cl2NO2/c1-11-2-5-14(20)10-17(11)23-16-9-8-15(21-18(16)22)12-3-6-13(19)7-4-12/h2-10H,1H3,(H,21,22)
InChIKeyOVKSWUZLGZAFMC-UHFFFAOYSA-N
MW346.21 g/mol
LogP5.45
Rot. Bonds3

About 3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one

3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one (PubChem CID 171978029) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one
PubChem CID171978029
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC Name3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one
SMILESCc1ccc(Cl)cc1Oc1ccc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C18H13Cl2NO2/c1-11-2-5-14(20)10-17(11)23-16-9-8-15(21-18(16)22)12-3-6-13(19)7-4-12/h2-10H,1H3,(H,21,22)
InChIKeyOVKSWUZLGZAFMC-UHFFFAOYSA-N
XLogP5.45
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one (CID 171978029) is 3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one is Cc1ccc(Cl)cc1Oc1ccc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one?
The InChIKey is OVKSWUZLGZAFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c1-11-2-5-14(20)10-17(11)23-16-9-8-15(21-18(16)22)12-3-6-13(19)7-4-12/h2-10H,1H3,(H,21,22).
What are the key properties of 3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one?
3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one has a molecular weight of 346.21 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 171978029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).