2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone

C14H8BrCl2IO — CID 103214376

IUPAC2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1Cl)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H8BrCl2IO/c15-10-3-1-8(11(16)7-10)6-14(19)9-2-4-13(18)12(17)5-9/h1-5,7H,6H2
InChIKeyNMCITGWYYVPDRE-UHFFFAOYSA-N
MW469.93 g/mol
LogP5.79
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone

2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone (PubChem CID 103214376) has the molecular formula C14H8BrCl2IO and a molecular weight of 469.93 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone
PubChem CID103214376
Molecular FormulaC14H8BrCl2IO
Molecular Weight469.93 g/mol
Exact Mass467.82
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1Cl)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H8BrCl2IO/c15-10-3-1-8(11(16)7-10)6-14(19)9-2-4-13(18)12(17)5-9/h1-5,7H,6H2
InChIKeyNMCITGWYYVPDRE-UHFFFAOYSA-N
XLogP5.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.93
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-iodophenyl)ethanone
CID 114029972
2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 115801790
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone
CID 103213897
1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 103214014
1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967193
2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone
CID 105129169
1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 81467093
1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865689
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 107996296
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 114968547
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426
2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115801958

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone (CID 103214376) is 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone is O=C(Cc1ccc(Br)cc1Cl)c1ccc(I)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone?
The InChIKey is NMCITGWYYVPDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2IO/c15-10-3-1-8(11(16)7-10)6-14(19)9-2-4-13(18)12(17)5-9/h1-5,7H,6H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone?
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone has a molecular weight of 469.93 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone is sourced from PubChem (CID 103214376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).