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

C14H9Cl2IO — CID 103213897

IUPAC1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H9Cl2IO/c15-11-4-1-9(2-5-11)7-14(18)10-3-6-13(17)12(16)8-10/h1-6,8H,7H2
InChIKeyPGISBBLUHJTXFD-UHFFFAOYSA-N
MW391.04 g/mol
LogP5.02
Rot. Bonds3

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

1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone (PubChem CID 103213897) has the molecular formula C14H9Cl2IO and a molecular weight of 391.04 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone
PubChem CID103213897
Molecular FormulaC14H9Cl2IO
Molecular Weight391.04 g/mol
Exact Mass389.91
IUPAC Name1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H9Cl2IO/c15-11-4-1-9(2-5-11)7-14(18)10-3-6-13(17)12(16)8-10/h1-6,8H,7H2
InChIKeyPGISBBLUHJTXFD-UHFFFAOYSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.04
LogP ≤ 55.02
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-(3-chloro-4-iodophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 103213975
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone
CID 103214376
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one
CID 24726104
2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone
CID 103042866
1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 53407120
3-chloro-4-iodobenzoic acid
CID 18953341
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11438271
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 43339023
1-(3-chloro-4-iodophenyl)-3-ethylpentan-1-one
CID 103214336
4-chloro-3-[2-(4-chlorophenyl)acetyl]benzamide
CID 157465284
3-chloro-4-iodobenzamide
CID 94675118

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone (CID 103213897) is 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone is O=C(Cc1ccc(Cl)cc1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone?
The InChIKey is PGISBBLUHJTXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2IO/c15-11-4-1-9(2-5-11)7-14(18)10-3-6-13(17)12(16)8-10/h1-6,8H,7H2.
What are the key properties of 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone?
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone has a molecular weight of 391.04 g/mol, XLogP of 5.02, 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-(4-chlorophenyl)ethanone is sourced from PubChem (CID 103213897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).