4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene

C15H14ClI — CID 63427367

IUPAC4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene
SMILESCc1ccc(C(Cl)c2ccc(I)cc2)cc1C
InChIInChI=1S/C15H14ClI/c1-10-3-4-13(9-11(10)2)15(16)12-5-7-14(17)8-6-12/h3-9,15H,1-2H3
InChIKeyGKHHZQVUTCXBFJ-UHFFFAOYSA-N
MW356.63 g/mol
LogP5.24
Rot. Bonds2

About 4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene

4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene (PubChem CID 63427367) has the molecular formula C15H14ClI and a molecular weight of 356.63 g/mol. Its IUPAC name is 4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene
PubChem CID63427367
Molecular FormulaC15H14ClI
Molecular Weight356.63 g/mol
Exact Mass355.98
IUPAC Name4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene
SMILESCc1ccc(C(Cl)c2ccc(I)cc2)cc1C
InChIInChI=1S/C15H14ClI/c1-10-3-4-13(9-11(10)2)15(16)12-5-7-14(17)8-6-12/h3-9,15H,1-2H3
InChIKeyGKHHZQVUTCXBFJ-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.63
LogP ≤ 55.24
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-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene
CID 63430827
4-[chloro-(4-methoxyphenyl)methyl]-1,2-dimethylbenzene
CID 63427206
1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429571
4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene
CID 63434160
1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene
CID 107991387
4-[chloro-(3,4-dimethylphenyl)methyl]-1H-pyrazole
CID 114988755
4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene
CID 63427495
3-[chloro-(3,4-dimethylphenyl)methyl]-2,4,5-trimethylfuran
CID 65152086
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 63429095
4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene
CID 106862844
3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran
CID 61082154

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene (CID 63427367) is 4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene is Cc1ccc(C(Cl)c2ccc(I)cc2)cc1C.
What is the InChIKey of 4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene?
The InChIKey is GKHHZQVUTCXBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClI/c1-10-3-4-13(9-11(10)2)15(16)12-5-7-14(17)8-6-12/h3-9,15H,1-2H3.
What are the key properties of 4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene?
4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene has a molecular weight of 356.63 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene is sourced from PubChem (CID 63427367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).