1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene

C14H12I2 — CID 130307947

IUPAC1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene
SMILESCc1ccc(-c2cc(C)ccc2I)c(I)c1
InChIInChI=1S/C14H12I2/c1-9-4-6-13(15)12(7-9)11-5-3-10(2)8-14(11)16/h3-8H,1-2H3
InChIKeyVCTBPDOIABTJOR-UHFFFAOYSA-N
MW434.06 g/mol
LogP5.18
Rot. Bonds1

About 1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene

1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene (PubChem CID 130307947) has the molecular formula C14H12I2 and a molecular weight of 434.06 g/mol. Its IUPAC name is 1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene.

Molecular Properties

Compound Name1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene
PubChem CID130307947
Molecular FormulaC14H12I2
Molecular Weight434.06 g/mol
Exact Mass433.90
IUPAC Name1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene
SMILESCc1ccc(-c2cc(C)ccc2I)c(I)c1
InChIInChI=1S/C14H12I2/c1-9-4-6-13(15)12(7-9)11-5-3-10(2)8-14(11)16/h3-8H,1-2H3
InChIKeyVCTBPDOIABTJOR-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.06
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene?
The IUPAC name of 1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene (CID 130307947) is 1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene.
What is the SMILES notation for 1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene?
The canonical SMILES for 1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene is Cc1ccc(-c2cc(C)ccc2I)c(I)c1.
What is the InChIKey of 1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene?
The InChIKey is VCTBPDOIABTJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12I2/c1-9-4-6-13(15)12(7-9)11-5-3-10(2)8-14(11)16/h3-8H,1-2H3.
What are the key properties of 1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene?
1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene has a molecular weight of 434.06 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene is sourced from PubChem (CID 130307947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).