2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone

C14H8Br2Cl2O2 — CID 60625746

IUPAC2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(COc1ccc(Br)cc1Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Br2Cl2O2/c15-8-1-4-14(11(16)5-8)20-7-13(19)10-3-2-9(17)6-12(10)18/h1-6H,7H2
InChIKeyJOQXTZDLFSHVDB-UHFFFAOYSA-N
MW438.93 g/mol
LogP5.78
Rot. Bonds4

About 2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone

2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone (PubChem CID 60625746) has the molecular formula C14H8Br2Cl2O2 and a molecular weight of 438.93 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone
PubChem CID60625746
Molecular FormulaC14H8Br2Cl2O2
Molecular Weight438.93 g/mol
Exact Mass435.83
IUPAC Name2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(COc1ccc(Br)cc1Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Br2Cl2O2/c15-8-1-4-14(11(16)5-8)20-7-13(19)10-3-2-9(17)6-12(10)18/h1-6H,7H2
InChIKeyJOQXTZDLFSHVDB-UHFFFAOYSA-N
XLogP5.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.93
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 107659402
2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 107100385
2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 166094938
2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656484
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979
1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
CID 2302578
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63567272
2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 83140733
2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 31120315
1-(2,5-dibromothiophen-3-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 60652032
1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413856
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone (CID 60625746) is 2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone is O=C(COc1ccc(Br)cc1Br)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is JOQXTZDLFSHVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2Cl2O2/c15-8-1-4-14(11(16)5-8)20-7-13(19)10-3-2-9(17)6-12(10)18/h1-6H,7H2.
What are the key properties of 2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone?
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 438.93 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 60625746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).