1-(4-chlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone

C14H8Cl4O2 — CID 3139624

IUPAC1-(4-chlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
SMILESO=C(COc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl4O2/c15-9-3-1-8(2-4-9)13(19)7-20-14-11(17)5-10(16)6-12(14)18/h1-6H,7H2
InChIKeyMNJRSZOZMGCUMS-UHFFFAOYSA-N
MW350.03 g/mol
LogP5.56
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone

1-(4-chlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone (PubChem CID 3139624) has the molecular formula C14H8Cl4O2 and a molecular weight of 350.03 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
PubChem CID3139624
Molecular FormulaC14H8Cl4O2
Molecular Weight350.03 g/mol
Exact Mass347.93
IUPAC Name1-(4-chlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
SMILESO=C(COc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl4O2/c15-9-3-1-8(2-4-9)13(19)7-20-14-11(17)5-10(16)6-12(14)18/h1-6H,7H2
InChIKeyMNJRSZOZMGCUMS-UHFFFAOYSA-N
XLogP5.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.03
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone (CID 3139624) is 1-(4-chlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone is O=C(COc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone?
The InChIKey is MNJRSZOZMGCUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4O2/c15-9-3-1-8(2-4-9)13(19)7-20-14-11(17)5-10(16)6-12(14)18/h1-6H,7H2.
What are the key properties of 1-(4-chlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone?
1-(4-chlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone has a molecular weight of 350.03 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone is sourced from PubChem (CID 3139624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).