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

C14H9Cl2IO — CID 107311673

IUPAC2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)c1ccc(I)cc1
InChIInChI=1S/C14H9Cl2IO/c15-12-3-1-2-10(14(12)16)8-13(18)9-4-6-11(17)7-5-9/h1-7H,8H2
InChIKeyVQMRMBUGRIIJIW-UHFFFAOYSA-N
MW391.04 g/mol
LogP5.02
Rot. Bonds3

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

2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone (PubChem CID 107311673) has the molecular formula C14H9Cl2IO and a molecular weight of 391.04 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone
PubChem CID107311673
Molecular FormulaC14H9Cl2IO
Molecular Weight391.04 g/mol
Exact Mass389.91
IUPAC Name2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)c1ccc(I)cc1
InChIInChI=1S/C14H9Cl2IO/c15-12-3-1-2-10(14(12)16)8-13(18)9-4-6-11(17)7-5-9/h1-7H,8H2
InChIKeyVQMRMBUGRIIJIW-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-(4-aminophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107308085
2-(2,3-dichlorophenyl)-1-(4-ethylphenyl)ethanone
CID 107307811
1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107311568
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
2-(2-bromophenyl)-1-(4-iodophenyl)ethanone
CID 24723892
1-(4-iodophenyl)-2-(2-methylphenyl)ethanone
CID 43160312
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 107311672
1,2-dichloro-3-(iodomethyl)benzene
CID 107310418
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 63411340
1-phenyl-2-(2,3,4-trichlorophenyl)ethanone
CID 175144459
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone (CID 107311673) is 2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone is O=C(Cc1cccc(Cl)c1Cl)c1ccc(I)cc1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone?
The InChIKey is VQMRMBUGRIIJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2IO/c15-12-3-1-2-10(14(12)16)8-13(18)9-4-6-11(17)7-5-9/h1-7H,8H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone?
2-(2,3-dichlorophenyl)-1-(4-iodophenyl)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 2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 107311673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).