2-tert-butyl-4,5-dichlorobenzoyl iodide

C11H11Cl2IO — CID 167016314

IUPAC2-tert-butyl-4,5-dichlorobenzoyl iodide
SMILESCC(C)(C)c1cc(Cl)c(Cl)cc1C(=O)I
InChIInChI=1S/C11H11Cl2IO/c1-11(2,3)7-5-9(13)8(12)4-6(7)10(14)15/h4-5H,1-3H3
InChIKeyCQBXOIKRPVHZRS-UHFFFAOYSA-N
MW357.02 g/mol
LogP4.87
Rot. Bonds1

About 2-tert-butyl-4,5-dichlorobenzoyl iodide

2-tert-butyl-4,5-dichlorobenzoyl iodide (PubChem CID 167016314) has the molecular formula C11H11Cl2IO and a molecular weight of 357.02 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dichlorobenzoyl iodide.

Molecular Properties

Compound Name2-tert-butyl-4,5-dichlorobenzoyl iodide
PubChem CID167016314
Molecular FormulaC11H11Cl2IO
Molecular Weight357.02 g/mol
Exact Mass355.92
IUPAC Name2-tert-butyl-4,5-dichlorobenzoyl iodide
SMILESCC(C)(C)c1cc(Cl)c(Cl)cc1C(=O)I
InChIInChI=1S/C11H11Cl2IO/c1-11(2,3)7-5-9(13)8(12)4-6(7)10(14)15/h4-5H,1-3H3
InChIKeyCQBXOIKRPVHZRS-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.02
LogP ≤ 54.87
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

methyl 2-tert-butyl-4,5-dichlorobenzoate
CID 59441386
dimethyl 2,5-ditert-butylbenzene-1,4-dicarboxylate
CID 11833728
1-(2-tert-butyl-5-chlorophenyl)ethanone
CID 84781393
4-tert-butyl-3-chlorobenzoyl chloride
CID 71365749
(2-tert-butylphenyl)-(2-chlorophenyl)methanone
CID 14145194
1-(3-tert-butyl-2,5-dichlorophenyl)ethanone
CID 170078691
3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide
CID 134094274
1,2-ditert-butyl-4-chloro-5-fluorobenzene
CID 130260554
ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate
CID 67245813
1-tert-butyl-2,3,4-trichlorobenzene;propan-2-one
CID 174450533
2-(2-amino-4,5-dichlorophenyl)propan-2-ol
CID 139377730
2-amino-3-tert-butyl-5-chlorobenzoic acid
CID 142738161

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dichlorobenzoyl iodide?
The IUPAC name of 2-tert-butyl-4,5-dichlorobenzoyl iodide (CID 167016314) is 2-tert-butyl-4,5-dichlorobenzoyl iodide.
What is the SMILES notation for 2-tert-butyl-4,5-dichlorobenzoyl iodide?
The canonical SMILES for 2-tert-butyl-4,5-dichlorobenzoyl iodide is CC(C)(C)c1cc(Cl)c(Cl)cc1C(=O)I.
What is the InChIKey of 2-tert-butyl-4,5-dichlorobenzoyl iodide?
The InChIKey is CQBXOIKRPVHZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2IO/c1-11(2,3)7-5-9(13)8(12)4-6(7)10(14)15/h4-5H,1-3H3.
What are the key properties of 2-tert-butyl-4,5-dichlorobenzoyl iodide?
2-tert-butyl-4,5-dichlorobenzoyl iodide has a molecular weight of 357.02 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dichlorobenzoyl iodide is sourced from PubChem (CID 167016314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).