1-(chloromethyl)-3-iodo-5-methylbenzene

C8H8ClI — CID 19261556

IUPAC1-(chloromethyl)-3-iodo-5-methylbenzene
SMILESCc1cc(I)cc(CCl)c1
InChIInChI=1S/C8H8ClI/c1-6-2-7(5-9)4-8(10)3-6/h2-4H,5H2,1H3
InChIKeyCAJPQJLWKQJKJX-UHFFFAOYSA-N
MW266.51 g/mol
LogP3.34
Rot. Bonds1

About 1-(chloromethyl)-3-iodo-5-methylbenzene

1-(chloromethyl)-3-iodo-5-methylbenzene (PubChem CID 19261556) has the molecular formula C8H8ClI and a molecular weight of 266.51 g/mol. Its IUPAC name is 1-(chloromethyl)-3-iodo-5-methylbenzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-iodo-5-methylbenzene
PubChem CID19261556
Molecular FormulaC8H8ClI
Molecular Weight266.51 g/mol
Exact Mass265.94
IUPAC Name1-(chloromethyl)-3-iodo-5-methylbenzene
SMILESCc1cc(I)cc(CCl)c1
InChIInChI=1S/C8H8ClI/c1-6-2-7(5-9)4-8(10)3-6/h2-4H,5H2,1H3
InChIKeyCAJPQJLWKQJKJX-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-iodo-5-methylbenzene?
The IUPAC name of 1-(chloromethyl)-3-iodo-5-methylbenzene (CID 19261556) is 1-(chloromethyl)-3-iodo-5-methylbenzene.
What is the SMILES notation for 1-(chloromethyl)-3-iodo-5-methylbenzene?
The canonical SMILES for 1-(chloromethyl)-3-iodo-5-methylbenzene is Cc1cc(I)cc(CCl)c1.
What is the InChIKey of 1-(chloromethyl)-3-iodo-5-methylbenzene?
The InChIKey is CAJPQJLWKQJKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClI/c1-6-2-7(5-9)4-8(10)3-6/h2-4H,5H2,1H3.
What are the key properties of 1-(chloromethyl)-3-iodo-5-methylbenzene?
1-(chloromethyl)-3-iodo-5-methylbenzene has a molecular weight of 266.51 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-iodo-5-methylbenzene is sourced from PubChem (CID 19261556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).