2-(4-chlorophenoxy)acetyl iodide

C8H6ClIO2 — CID 134255037

IUPAC2-(4-chlorophenoxy)acetyl iodide
SMILESO=C(I)COc1ccc(Cl)cc1
InChIInChI=1S/C8H6ClIO2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2
InChIKeyFVFDKMZJLOLHKR-UHFFFAOYSA-N
MW296.49 g/mol
LogP2.68
Rot. Bonds3

About 2-(4-chlorophenoxy)acetyl iodide

2-(4-chlorophenoxy)acetyl iodide (PubChem CID 134255037) has the molecular formula C8H6ClIO2 and a molecular weight of 296.49 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)acetyl iodide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)acetyl iodide
PubChem CID134255037
Molecular FormulaC8H6ClIO2
Molecular Weight296.49 g/mol
Exact Mass295.91
IUPAC Name2-(4-chlorophenoxy)acetyl iodide
SMILESO=C(I)COc1ccc(Cl)cc1
InChIInChI=1S/C8H6ClIO2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2
InChIKeyFVFDKMZJLOLHKR-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.49
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820
azanium 2-(4-chlorophenoxy)acetate
CID 142591022
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-chlorophenoxy)-N-oxoacetamide
CID 123460876
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
1-(4-chlorophenoxy)pent-4-en-2-one
CID 105083082
1-[4-[(4-chlorophenoxy)methyl]phenoxy]-3-[2-[3-[4-[(4-chlorophenoxy)methyl]phenoxy]-2-oxopropoxy]ethoxy]propan-2-one
CID 57071405
2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane
CID 174737533
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
2-(4-chlorophenoxy)-1-(2-hydroxyphenyl)ethanone
CID 71616835

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)acetyl iodide?
The IUPAC name of 2-(4-chlorophenoxy)acetyl iodide (CID 134255037) is 2-(4-chlorophenoxy)acetyl iodide.
What is the SMILES notation for 2-(4-chlorophenoxy)acetyl iodide?
The canonical SMILES for 2-(4-chlorophenoxy)acetyl iodide is O=C(I)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)acetyl iodide?
The InChIKey is FVFDKMZJLOLHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClIO2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2.
What are the key properties of 2-(4-chlorophenoxy)acetyl iodide?
2-(4-chlorophenoxy)acetyl iodide has a molecular weight of 296.49 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)acetyl iodide is sourced from PubChem (CID 134255037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).