1-chloro-4-(4-iodophenyl)benzene

C12H8ClI — CID 4304230

IUPAC1-chloro-4-(4-iodophenyl)benzene
SMILESClc1ccc(-c2ccc(I)cc2)cc1
InChIInChI=1S/C12H8ClI/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKeyHCHAMYGZDLHKMD-UHFFFAOYSA-N
MW314.55 g/mol
LogP4.61
Rot. Bonds1

About 1-chloro-4-(4-iodophenyl)benzene

1-chloro-4-(4-iodophenyl)benzene (PubChem CID 4304230) has the molecular formula C12H8ClI and a molecular weight of 314.55 g/mol. Its IUPAC name is 1-chloro-4-(4-iodophenyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(4-iodophenyl)benzene
PubChem CID4304230
Molecular FormulaC12H8ClI
Molecular Weight314.55 g/mol
Exact Mass313.94
IUPAC Name1-chloro-4-(4-iodophenyl)benzene
SMILESClc1ccc(-c2ccc(I)cc2)cc1
InChIInChI=1S/C12H8ClI/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKeyHCHAMYGZDLHKMD-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.55
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-iodophenyl)benzene?
The IUPAC name of 1-chloro-4-(4-iodophenyl)benzene (CID 4304230) is 1-chloro-4-(4-iodophenyl)benzene.
What is the SMILES notation for 1-chloro-4-(4-iodophenyl)benzene?
The canonical SMILES for 1-chloro-4-(4-iodophenyl)benzene is Clc1ccc(-c2ccc(I)cc2)cc1.
What is the InChIKey of 1-chloro-4-(4-iodophenyl)benzene?
The InChIKey is HCHAMYGZDLHKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClI/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H.
What are the key properties of 1-chloro-4-(4-iodophenyl)benzene?
1-chloro-4-(4-iodophenyl)benzene has a molecular weight of 314.55 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-iodophenyl)benzene is sourced from PubChem (CID 4304230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).