2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone

C15H13Cl2NO2 — CID 134064664

IUPAC2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone
SMILESCc1nc(C)c(Cl)c(OCC(=O)c2ccccc2)c1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-9-13(16)15(14(17)10(2)18-9)20-8-12(19)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyVIUWBDMRMVTUBO-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.27
Rot. Bonds4

About 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone

2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone (PubChem CID 134064664) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone.

Molecular Properties

Compound Name2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone
PubChem CID134064664
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone
SMILESCc1nc(C)c(Cl)c(OCC(=O)c2ccccc2)c1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-9-13(16)15(14(17)10(2)18-9)20-8-12(19)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyVIUWBDMRMVTUBO-UHFFFAOYSA-N
XLogP4.27
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate
CID 569567
2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
CID 8914654
2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-N-(2-hydroxyphenyl)acetamide
CID 134064912
2-(2,6-dibromophenoxy)-1-phenylethanone
CID 60593987
2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone
CID 20613046
2-(2-chloro-6-fluorophenoxy)-1-phenylethanone
CID 83051091
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
(2-phenacyloxyphenyl) acetate
CID 2303836
2-phenacyloxy-1-phenylethanone
CID 12781821
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-phenylethanone
CID 162664426
2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone
CID 167431129

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone?
The IUPAC name of 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone (CID 134064664) is 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone.
What is the SMILES notation for 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone?
The canonical SMILES for 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone is Cc1nc(C)c(Cl)c(OCC(=O)c2ccccc2)c1Cl.
What is the InChIKey of 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone?
The InChIKey is VIUWBDMRMVTUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-9-13(16)15(14(17)10(2)18-9)20-8-12(19)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone?
2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone has a molecular weight of 310.18 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone is sourced from PubChem (CID 134064664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).