2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone

C14H7BrCl4O2 — CID 107659402

IUPAC2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(COc1cc(Cl)c(Br)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H7BrCl4O2/c15-9-4-12(19)14(5-11(9)18)21-6-13(20)8-2-1-7(16)3-10(8)17/h1-5H,6H2
InChIKeyHPXYWIGVAZQPIQ-UHFFFAOYSA-N
MW428.92 g/mol
LogP6.32
Rot. Bonds4

About 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone

2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone (PubChem CID 107659402) has the molecular formula C14H7BrCl4O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
PubChem CID107659402
Molecular FormulaC14H7BrCl4O2
Molecular Weight428.92 g/mol
Exact Mass425.84
IUPAC Name2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(COc1cc(Cl)c(Br)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H7BrCl4O2/c15-9-4-12(19)14(5-11(9)18)21-6-13(20)8-2-1-7(16)3-10(8)17/h1-5H,6H2
InChIKeyHPXYWIGVAZQPIQ-UHFFFAOYSA-N
XLogP6.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 60625746
2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 107659375
2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 166094938
2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 107100385
1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
CID 2302578
2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 83140733
2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656484
1-(2,5-dibromothiophen-3-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 60652032
2-(4-bromo-2,5-dichlorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 106544771
1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413856
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979
2-[(4-bromo-2,5-dichlorophenoxy)methyl]prop-2-enoic acid
CID 107654981

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone (CID 107659402) is 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone is O=C(COc1cc(Cl)c(Br)cc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is HPXYWIGVAZQPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl4O2/c15-9-4-12(19)14(5-11(9)18)21-6-13(20)8-2-1-7(16)3-10(8)17/h1-5H,6H2.
What are the key properties of 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone?
2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 428.92 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 107659402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).