2-chloro-1-ethyl-4-iodobenzene

C8H8ClI — CID 71044998

IUPAC2-chloro-1-ethyl-4-iodobenzene
SMILESCCc1ccc(I)cc1Cl
InChIInChI=1S/C8H8ClI/c1-2-6-3-4-7(10)5-8(6)9/h3-5H,2H2,1H3
InChIKeyRIWJUOQMJGXHDB-UHFFFAOYSA-N
MW266.51 g/mol
LogP3.51
Rot. Bonds1

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

2-chloro-1-ethyl-4-iodobenzene (PubChem CID 71044998) has the molecular formula C8H8ClI and a molecular weight of 266.51 g/mol. Its IUPAC name is 2-chloro-1-ethyl-4-iodobenzene.

Molecular Properties

Compound Name2-chloro-1-ethyl-4-iodobenzene
PubChem CID71044998
Molecular FormulaC8H8ClI
Molecular Weight266.51 g/mol
Exact Mass265.94
IUPAC Name2-chloro-1-ethyl-4-iodobenzene
SMILESCCc1ccc(I)cc1Cl
InChIInChI=1S/C8H8ClI/c1-2-6-3-4-7(10)5-8(6)9/h3-5H,2H2,1H3
InChIKeyRIWJUOQMJGXHDB-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

1-(2-chloro-4-iodophenyl)butan-2-one
CID 147711432
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine
CID 130669925
2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene
CID 71160025
1-(3-bromopropyl)-2-chloro-4-iodobenzene
CID 118830135
5-chloro-3-[(2-chloro-4-iodophenyl)methyl]-2-ethylimidazole-4-carbaldehyde
CID 22058747
2-(2-ethyl-4-iodophenyl)acetic acid
CID 91883775
1-ethyl-4-iodo-2-methoxybenzene
CID 90338673
methyl 2-bromo-3-(2-chloro-4-iodophenyl)propanoate
CID 107607992
2-(3-chloro-4-ethylphenyl)-2-methylpropan-1-amine
CID 105424639
3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide
CID 107605493
2-chloro-N,N-diethyl-4-iodoaniline
CID 107606923

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethyl-4-iodobenzene?
The IUPAC name of 2-chloro-1-ethyl-4-iodobenzene (CID 71044998) is 2-chloro-1-ethyl-4-iodobenzene.
What is the SMILES notation for 2-chloro-1-ethyl-4-iodobenzene?
The canonical SMILES for 2-chloro-1-ethyl-4-iodobenzene is CCc1ccc(I)cc1Cl.
What is the InChIKey of 2-chloro-1-ethyl-4-iodobenzene?
The InChIKey is RIWJUOQMJGXHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClI/c1-2-6-3-4-7(10)5-8(6)9/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-1-ethyl-4-iodobenzene?
2-chloro-1-ethyl-4-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 2-chloro-1-ethyl-4-iodobenzene is sourced from PubChem (CID 71044998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).