5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one

C19H15Cl2NO3 — CID 50943945

IUPAC5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one
SMILESCn1cc(Oc2cccc(Cl)c2Cl)c(=O)cc1COc1ccccc1
InChIInChI=1S/C19H15Cl2NO3/c1-22-11-18(25-17-9-5-8-15(20)19(17)21)16(23)10-13(22)12-24-14-6-3-2-4-7-14/h2-11H,12H2,1H3
InChIKeyOLZOEQUVNXUNAP-UHFFFAOYSA-N
MW376.24 g/mol
LogP5.06
Rot. Bonds5

About 5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one

5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one (PubChem CID 50943945) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is 5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one.

Molecular Properties

Compound Name5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one
PubChem CID50943945
Molecular FormulaC19H15Cl2NO3
Molecular Weight376.24 g/mol
Exact Mass375.04
IUPAC Name5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one
SMILESCn1cc(Oc2cccc(Cl)c2Cl)c(=O)cc1COc1ccccc1
InChIInChI=1S/C19H15Cl2NO3/c1-22-11-18(25-17-9-5-8-15(20)19(17)21)16(23)10-13(22)12-24-14-6-3-2-4-7-14/h2-11H,12H2,1H3
InChIKeyOLZOEQUVNXUNAP-UHFFFAOYSA-N
XLogP5.06
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.24
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one?
The IUPAC name of 5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one (CID 50943945) is 5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one.
What is the SMILES notation for 5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one?
The canonical SMILES for 5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one is Cn1cc(Oc2cccc(Cl)c2Cl)c(=O)cc1COc1ccccc1.
What is the InChIKey of 5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one?
The InChIKey is OLZOEQUVNXUNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c1-22-11-18(25-17-9-5-8-15(20)19(17)21)16(23)10-13(22)12-24-14-6-3-2-4-7-14/h2-11H,12H2,1H3.
What are the key properties of 5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one?
5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one has a molecular weight of 376.24 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenoxy)-1-methyl-2-(phenoxymethyl)pyridin-4-one is sourced from PubChem (CID 50943945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).