4-(4-chlorophenyl)benzoyl iodide

C13H8ClIO — CID 90184448

IUPAC4-(4-chlorophenyl)benzoyl iodide
SMILESO=C(I)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H8ClIO/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H
InChIKeyPLMZFQKOKDICSF-UHFFFAOYSA-N
MW342.56 g/mol
LogP4.58
Rot. Bonds2

About 4-(4-chlorophenyl)benzoyl iodide

4-(4-chlorophenyl)benzoyl iodide (PubChem CID 90184448) has the molecular formula C13H8ClIO and a molecular weight of 342.56 g/mol. Its IUPAC name is 4-(4-chlorophenyl)benzoyl iodide.

Molecular Properties

Compound Name4-(4-chlorophenyl)benzoyl iodide
PubChem CID90184448
Molecular FormulaC13H8ClIO
Molecular Weight342.56 g/mol
Exact Mass341.93
IUPAC Name4-(4-chlorophenyl)benzoyl iodide
SMILESO=C(I)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H8ClIO/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H
InChIKeyPLMZFQKOKDICSF-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.56
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)benzoyl iodide?
The IUPAC name of 4-(4-chlorophenyl)benzoyl iodide (CID 90184448) is 4-(4-chlorophenyl)benzoyl iodide.
What is the SMILES notation for 4-(4-chlorophenyl)benzoyl iodide?
The canonical SMILES for 4-(4-chlorophenyl)benzoyl iodide is O=C(I)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)benzoyl iodide?
The InChIKey is PLMZFQKOKDICSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIO/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H.
What are the key properties of 4-(4-chlorophenyl)benzoyl iodide?
4-(4-chlorophenyl)benzoyl iodide has a molecular weight of 342.56 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)benzoyl iodide is sourced from PubChem (CID 90184448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).