2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone

C14H8BrCl2IO2 — CID 166094938

IUPAC2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(COc1cccc(Br)c1I)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8BrCl2IO2/c15-10-2-1-3-13(14(10)18)20-7-12(19)9-5-4-8(16)6-11(9)17/h1-6H,7H2
InChIKeyKWEKOKGHBGBMRX-UHFFFAOYSA-N
MW485.93 g/mol
LogP5.62
Rot. Bonds4

About 2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone

2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone (PubChem CID 166094938) has the molecular formula C14H8BrCl2IO2 and a molecular weight of 485.93 g/mol. Its IUPAC name is 2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone
PubChem CID166094938
Molecular FormulaC14H8BrCl2IO2
Molecular Weight485.93 g/mol
Exact Mass483.81
IUPAC Name2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(COc1cccc(Br)c1I)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8BrCl2IO2/c15-10-2-1-3-13(14(10)18)20-7-12(19)9-5-4-8(16)6-11(9)17/h1-6H,7H2
InChIKeyKWEKOKGHBGBMRX-UHFFFAOYSA-N
XLogP5.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.93
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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-dichlorophenyl)ethanone
CID 107659402
2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656484
1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413856
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
8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 82108347
2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 83140733
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone
CID 60624762
2-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone (CID 166094938) is 2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone is O=C(COc1cccc(Br)c1I)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is KWEKOKGHBGBMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2IO2/c15-10-2-1-3-13(14(10)18)20-7-12(19)9-5-4-8(16)6-11(9)17/h1-6H,7H2.
What are the key properties of 2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone?
2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 485.93 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 166094938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).