1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone

C14H8Cl3IO — CID 114029892

IUPAC1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1I
InChIInChI=1S/C14H8Cl3IO/c15-9-2-4-13(18)10(7-9)14(19)6-8-1-3-11(16)12(17)5-8/h1-5,7H,6H2
InChIKeyUKDFVGVXQWJYJF-UHFFFAOYSA-N
MW425.48 g/mol
LogP5.68
Rot. Bonds3

About 1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone

1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone (PubChem CID 114029892) has the molecular formula C14H8Cl3IO and a molecular weight of 425.48 g/mol. Its IUPAC name is 1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
PubChem CID114029892
Molecular FormulaC14H8Cl3IO
Molecular Weight425.48 g/mol
Exact Mass423.87
IUPAC Name1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1I
InChIInChI=1S/C14H8Cl3IO/c15-9-2-4-13(18)10(7-9)14(19)6-8-1-3-11(16)12(17)5-8/h1-5,7H,6H2
InChIKeyUKDFVGVXQWJYJF-UHFFFAOYSA-N
XLogP5.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.48
LogP ≤ 55.68
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

1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 103214014
1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 63527874
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-iodophenyl)ethanone
CID 114029972
2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 115736609
1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 114029871
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
1-(2,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 62789590
1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 116597538
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone
CID 103213897
1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 106687701
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 114964656
2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 102802703

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone (CID 114029892) is 1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone is O=C(Cc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1I.
What is the InChIKey of 1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone?
The InChIKey is UKDFVGVXQWJYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3IO/c15-9-2-4-13(18)10(7-9)14(19)6-8-1-3-11(16)12(17)5-8/h1-5,7H,6H2.
What are the key properties of 1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone?
1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone has a molecular weight of 425.48 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 114029892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).