1-chloro-2-(iodomethyl)-3,5-dimethylbenzene

C9H10ClI — CID 170736542

IUPAC1-chloro-2-(iodomethyl)-3,5-dimethylbenzene
SMILESCc1cc(C)c(CI)c(Cl)c1
InChIInChI=1S/C9H10ClI/c1-6-3-7(2)8(5-11)9(10)4-6/h3-4H,5H2,1-2H3
InChIKeyOZLODLKGAOOHNN-UHFFFAOYSA-N
MW280.54 g/mol
LogP3.89
Rot. Bonds1

About 1-chloro-2-(iodomethyl)-3,5-dimethylbenzene

1-chloro-2-(iodomethyl)-3,5-dimethylbenzene (PubChem CID 170736542) has the molecular formula C9H10ClI and a molecular weight of 280.54 g/mol. Its IUPAC name is 1-chloro-2-(iodomethyl)-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-chloro-2-(iodomethyl)-3,5-dimethylbenzene
PubChem CID170736542
Molecular FormulaC9H10ClI
Molecular Weight280.54 g/mol
Exact Mass279.95
IUPAC Name1-chloro-2-(iodomethyl)-3,5-dimethylbenzene
SMILESCc1cc(C)c(CI)c(Cl)c1
InChIInChI=1S/C9H10ClI/c1-6-3-7(2)8(5-11)9(10)4-6/h3-4H,5H2,1-2H3
InChIKeyOZLODLKGAOOHNN-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.54
LogP ≤ 53.89
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

1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene
CID 170736464
1-(2-chloro-4,6-dimethylphenyl)-N-methylmethanamine
CID 84769264
1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene
CID 143995722
2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 59141966
2-(chloromethyl)-1,3,5-trimethylbenzene;methane
CID 158287443
1-chloro-2,3,5-trimethylbenzene;ethane
CID 142028955
2-(2,6-dichloro-4-methylphenyl)acetonitrile
CID 119013215
(2-ethoxy-2-oxoethyl) 2-(2-chloro-4,6-dimethylphenyl)acetate
CID 23510829
2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene
CID 24763942
ethane;(2,4,6-trimethylphenyl)methanol
CID 143599991
1-chloro-2-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-fluoro-5-methylbenzene
CID 129059215
1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene
CID 139403949

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(iodomethyl)-3,5-dimethylbenzene?
The IUPAC name of 1-chloro-2-(iodomethyl)-3,5-dimethylbenzene (CID 170736542) is 1-chloro-2-(iodomethyl)-3,5-dimethylbenzene.
What is the SMILES notation for 1-chloro-2-(iodomethyl)-3,5-dimethylbenzene?
The canonical SMILES for 1-chloro-2-(iodomethyl)-3,5-dimethylbenzene is Cc1cc(C)c(CI)c(Cl)c1.
What is the InChIKey of 1-chloro-2-(iodomethyl)-3,5-dimethylbenzene?
The InChIKey is OZLODLKGAOOHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClI/c1-6-3-7(2)8(5-11)9(10)4-6/h3-4H,5H2,1-2H3.
What are the key properties of 1-chloro-2-(iodomethyl)-3,5-dimethylbenzene?
1-chloro-2-(iodomethyl)-3,5-dimethylbenzene has a molecular weight of 280.54 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(iodomethyl)-3,5-dimethylbenzene is sourced from PubChem (CID 170736542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).