2-(4-chlorophenyl)acetyl iodide

C8H6ClIO — CID 89264950

IUPAC2-(4-chlorophenyl)acetyl iodide
SMILESO=C(I)Cc1ccc(Cl)cc1
InChIInChI=1S/C8H6ClIO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2
InChIKeyCZWNFIXEDZMQTN-UHFFFAOYSA-N
MW280.49 g/mol
LogP2.84
Rot. Bonds2

About 2-(4-chlorophenyl)acetyl iodide

2-(4-chlorophenyl)acetyl iodide (PubChem CID 89264950) has the molecular formula C8H6ClIO and a molecular weight of 280.49 g/mol. Its IUPAC name is 2-(4-chlorophenyl)acetyl iodide.

Molecular Properties

Compound Name2-(4-chlorophenyl)acetyl iodide
PubChem CID89264950
Molecular FormulaC8H6ClIO
Molecular Weight280.49 g/mol
Exact Mass279.92
IUPAC Name2-(4-chlorophenyl)acetyl iodide
SMILESO=C(I)Cc1ccc(Cl)cc1
InChIInChI=1S/C8H6ClIO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2
InChIKeyCZWNFIXEDZMQTN-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.49
LogP ≤ 52.84
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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Related Compounds

1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
2-(4-chlorophenyl)acetate
CID 5460378
1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65477672
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
1-(4-chlorophenyl)-3-hydroxypropan-2-one
CID 12071752
1-(4-chlorophenyl)butan-2-one
CID 39237509
N'-(2-chloroacetyl)-2-(4-chlorophenyl)acetohydrazide
CID 82121554
methyl 3-(4-chlorophenyl)-2-oxopropanoate
CID 8008517
1-(4-chlorophenyl)-4,4-dimethylpentane-2,3-dione
CID 13228660
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide
CID 62667824
N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide
CID 79016632

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)acetyl iodide?
The IUPAC name of 2-(4-chlorophenyl)acetyl iodide (CID 89264950) is 2-(4-chlorophenyl)acetyl iodide.
What is the SMILES notation for 2-(4-chlorophenyl)acetyl iodide?
The canonical SMILES for 2-(4-chlorophenyl)acetyl iodide is O=C(I)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)acetyl iodide?
The InChIKey is CZWNFIXEDZMQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClIO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2.
What are the key properties of 2-(4-chlorophenyl)acetyl iodide?
2-(4-chlorophenyl)acetyl iodide has a molecular weight of 280.49 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)acetyl iodide is sourced from PubChem (CID 89264950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).