1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene

C8H7Cl2I — CID 171004622

IUPAC1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene
SMILESCc1cc(Cl)c(I)cc1CCl
InChIInChI=1S/C8H7Cl2I/c1-5-2-7(10)8(11)3-6(5)4-9/h2-3H,4H2,1H3
InChIKeyOKNGVCCPHILRRI-UHFFFAOYSA-N
MW300.95 g/mol
LogP3.99
Rot. Bonds1

About 1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene

1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene (PubChem CID 171004622) has the molecular formula C8H7Cl2I and a molecular weight of 300.95 g/mol. Its IUPAC name is 1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene.

Molecular Properties

Compound Name1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene
PubChem CID171004622
Molecular FormulaC8H7Cl2I
Molecular Weight300.95 g/mol
Exact Mass299.90
IUPAC Name1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene
SMILESCc1cc(Cl)c(I)cc1CCl
InChIInChI=1S/C8H7Cl2I/c1-5-2-7(10)8(11)3-6(5)4-9/h2-3H,4H2,1H3
InChIKeyOKNGVCCPHILRRI-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.95
LogP ≤ 53.99
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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Related Compounds

(4-chloro-5-iodo-2-methylphenyl)methanol
CID 118380437
1-bromo-4-(chloromethyl)-2-iodo-5-methylbenzene
CID 131262421
(5-chloro-4-iodo-2-methylphenyl)methanol
CID 171004062
2-(4-chloro-5-iodo-2-methylphenyl)acetonitrile
CID 171004334
1-chloro-4-(chloromethyl)-2-fluoro-5-methylbenzene
CID 131117181
1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
6-(chloromethyl)-5-methyl-3H-1,2-benzodioxole
CID 87704242
1-(chloromethyl)-3-iodo-2,5-dimethylbenzene
CID 171015760
4-chloro-5-iodo-2-methylbenzamide
CID 171003552
1-chloro-2,4,5-triiodobenzene
CID 102056311
5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride
CID 155822261
1-chloro-2-(chloromethyl)-4-iodo-5-nitrobenzene
CID 171006891

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene?
The IUPAC name of 1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene (CID 171004622) is 1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene.
What is the SMILES notation for 1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene?
The canonical SMILES for 1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene is Cc1cc(Cl)c(I)cc1CCl.
What is the InChIKey of 1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene?
The InChIKey is OKNGVCCPHILRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2I/c1-5-2-7(10)8(11)3-6(5)4-9/h2-3H,4H2,1H3.
What are the key properties of 1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene?
1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene has a molecular weight of 300.95 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene is sourced from PubChem (CID 171004622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).