4-chloro-1-(iodomethyl)-2-methylbenzene

C8H8ClI — CID 91883696

IUPAC4-chloro-1-(iodomethyl)-2-methylbenzene
SMILESCc1cc(Cl)ccc1CI
InChIInChI=1S/C8H8ClI/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,5H2,1H3
InChIKeyIDSNJLXHRCVBTA-UHFFFAOYSA-N
MW266.51 g/mol
LogP3.58
Rot. Bonds1

About 4-chloro-1-(iodomethyl)-2-methylbenzene

4-chloro-1-(iodomethyl)-2-methylbenzene (PubChem CID 91883696) has the molecular formula C8H8ClI and a molecular weight of 266.51 g/mol. Its IUPAC name is 4-chloro-1-(iodomethyl)-2-methylbenzene.

Molecular Properties

Compound Name4-chloro-1-(iodomethyl)-2-methylbenzene
PubChem CID91883696
Molecular FormulaC8H8ClI
Molecular Weight266.51 g/mol
Exact Mass265.94
IUPAC Name4-chloro-1-(iodomethyl)-2-methylbenzene
SMILESCc1cc(Cl)ccc1CI
InChIInChI=1S/C8H8ClI/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,5H2,1H3
InChIKeyIDSNJLXHRCVBTA-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
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

2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
(4-chloro-2-methylphenyl)methanediazonium
CID 22079924
4-(4-chloro-2-methylphenyl)butan-1-amine
CID 82282107
3-amino-4-(4-chloro-2-methylphenyl)butan-2-one
CID 83639669
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104853852
4-chloro-1-ethyl-2-iodobenzene
CID 68984613
4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene
CID 91716374
N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine
CID 104854099
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961
2,4-dichloro-1-[(2,4-dimethylphenyl)methyl]benzene
CID 57116365

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(iodomethyl)-2-methylbenzene?
The IUPAC name of 4-chloro-1-(iodomethyl)-2-methylbenzene (CID 91883696) is 4-chloro-1-(iodomethyl)-2-methylbenzene.
What is the SMILES notation for 4-chloro-1-(iodomethyl)-2-methylbenzene?
The canonical SMILES for 4-chloro-1-(iodomethyl)-2-methylbenzene is Cc1cc(Cl)ccc1CI.
What is the InChIKey of 4-chloro-1-(iodomethyl)-2-methylbenzene?
The InChIKey is IDSNJLXHRCVBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClI/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,5H2,1H3.
What are the key properties of 4-chloro-1-(iodomethyl)-2-methylbenzene?
4-chloro-1-(iodomethyl)-2-methylbenzene has a molecular weight of 266.51 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(iodomethyl)-2-methylbenzene is sourced from PubChem (CID 91883696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).