[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate

C15H9Cl2IO3 — CID 1337088

IUPAC[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate
SMILESO=C(COC(=O)c1ccccc1I)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2IO3/c16-9-5-6-10(12(17)7-9)14(19)8-21-15(20)11-3-1-2-4-13(11)18/h1-7H,8H2
InChIKeyASSHCRIJIJHPJG-UHFFFAOYSA-N
MW435.04 g/mol
LogP4.64
Rot. Bonds4

About [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate

[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate (PubChem CID 1337088) has the molecular formula C15H9Cl2IO3 and a molecular weight of 435.04 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate
PubChem CID1337088
Molecular FormulaC15H9Cl2IO3
Molecular Weight435.04 g/mol
Exact Mass433.90
IUPAC Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate
SMILESO=C(COC(=O)c1ccccc1I)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2IO3/c16-9-5-6-10(12(17)7-9)14(19)8-21-15(20)11-3-1-2-4-13(11)18/h1-7H,8H2
InChIKeyASSHCRIJIJHPJG-UHFFFAOYSA-N
XLogP4.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.04
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,4-dichlorophenyl)-2-oxoethyl] acetate
CID 59753951
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dichlorobenzoate
CID 7508273
[2-(2,4-dichlorophenyl)-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 8604063
(2-amino-2-oxoethyl) 2-iodobenzoate
CID 2509670
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-iodobenzoate
CID 71823697
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate
CID 23770659
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[2-[2-(2,4-dichlorophenyl)-2-oxoethoxy]carbonylphenyl]-1,3-dioxoisoindole-5-carboxylate
CID 126183523
[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 23793601
[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2459819
[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
CID 587174
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2378941
[2-(1H-indol-3-yl)-2-oxoethyl] 2-iodobenzoate
CID 2689629

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate?
The IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate (CID 1337088) is [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate?
The canonical SMILES for [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate is O=C(COC(=O)c1ccccc1I)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate?
The InChIKey is ASSHCRIJIJHPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2IO3/c16-9-5-6-10(12(17)7-9)14(19)8-21-15(20)11-3-1-2-4-13(11)18/h1-7H,8H2.
What are the key properties of [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate?
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate has a molecular weight of 435.04 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate is sourced from PubChem (CID 1337088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).