4-chloro-1-ethyl-2-iodobenzene

C8H8ClI — CID 68984613

IUPAC4-chloro-1-ethyl-2-iodobenzene
SMILESCCc1ccc(Cl)cc1I
InChIInChI=1S/C8H8ClI/c1-2-6-3-4-7(9)5-8(6)10/h3-5H,2H2,1H3
InChIKeyLQNNJVRJHRFWIK-UHFFFAOYSA-N
MW266.51 g/mol
LogP3.51
Rot. Bonds1

About 4-chloro-1-ethyl-2-iodobenzene

4-chloro-1-ethyl-2-iodobenzene (PubChem CID 68984613) has the molecular formula C8H8ClI and a molecular weight of 266.51 g/mol. Its IUPAC name is 4-chloro-1-ethyl-2-iodobenzene.

Molecular Properties

Compound Name4-chloro-1-ethyl-2-iodobenzene
PubChem CID68984613
Molecular FormulaC8H8ClI
Molecular Weight266.51 g/mol
Exact Mass265.94
IUPAC Name4-chloro-1-ethyl-2-iodobenzene
SMILESCCc1ccc(Cl)cc1I
InChIInChI=1S/C8H8ClI/c1-2-6-3-4-7(9)5-8(6)10/h3-5H,2H2,1H3
InChIKeyLQNNJVRJHRFWIK-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-iodophenyl)ethanamine
CID 130050912
1-(4-chloro-2-iodophenyl)propan-2-amine
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1-ethyl-4-ethylsulfanyl-2-iodobenzene
CID 91876000
4-chloro-1-ethyl-2-propylbenzene
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CID 122082170
4-chloro-2-ethenyl-1-ethylbenzene
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CID 91883696
2-chloro-1-ethyl-4-iodobenzene
CID 71044998
N-(4-chloro-2-iodophenyl)-2-ethylbenzamide
CID 113268300
(5-chloro-2-iodophenyl)methanesulfonyl chloride
CID 130841670
4-chloro-1-ethyl-2-phenylbenzene
CID 90346891
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-2-iodobenzene?
The IUPAC name of 4-chloro-1-ethyl-2-iodobenzene (CID 68984613) is 4-chloro-1-ethyl-2-iodobenzene.
What is the SMILES notation for 4-chloro-1-ethyl-2-iodobenzene?
The canonical SMILES for 4-chloro-1-ethyl-2-iodobenzene is CCc1ccc(Cl)cc1I.
What is the InChIKey of 4-chloro-1-ethyl-2-iodobenzene?
The InChIKey is LQNNJVRJHRFWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClI/c1-2-6-3-4-7(9)5-8(6)10/h3-5H,2H2,1H3.
What are the key properties of 4-chloro-1-ethyl-2-iodobenzene?
4-chloro-1-ethyl-2-iodobenzene has a molecular weight of 266.51 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-2-iodobenzene is sourced from PubChem (CID 68984613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).