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

C14H8Cl3IO — CID 103214014

IUPAC1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H8Cl3IO/c15-10-3-1-8(5-11(10)16)6-14(19)9-2-4-13(18)12(17)7-9/h1-5,7H,6H2
InChIKeyIVDRXCXFPOBWSJ-UHFFFAOYSA-N
MW425.48 g/mol
LogP5.68
Rot. Bonds3

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

1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone (PubChem CID 103214014) has the molecular formula C14H8Cl3IO and a molecular weight of 425.48 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
PubChem CID103214014
Molecular FormulaC14H8Cl3IO
Molecular Weight425.48 g/mol
Exact Mass423.87
IUPAC Name1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H8Cl3IO/c15-10-3-1-8(5-11(10)16)6-14(19)9-2-4-13(18)12(17)7-9/h1-5,7H,6H2
InChIKeyIVDRXCXFPOBWSJ-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-(4-chlorophenyl)ethanone
CID 103213897
1-(3-chloro-4-iodophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 103213975
1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 114029892
2-(3,4-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490584
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918
2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 116577263
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone
CID 103214376
2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491660
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one
CID 24726104
2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone
CID 103042866
3-chloro-4-iodobenzoic acid
CID 18953341

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone (CID 103214014) is 1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone is O=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone?
The InChIKey is IVDRXCXFPOBWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3IO/c15-10-3-1-8(5-11(10)16)6-14(19)9-2-4-13(18)12(17)7-9/h1-5,7H,6H2.
What are the key properties of 1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone?
1-(3-chloro-4-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-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 103214014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).