2-(4-iodophenyl)-1,3,5-trimethylbenzene

C15H15I — CID 71396711

IUPAC2-(4-iodophenyl)-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(-c2ccc(I)cc2)c(C)c1
InChIInChI=1S/C15H15I/c1-10-8-11(2)15(12(3)9-10)13-4-6-14(16)7-5-13/h4-9H,1-3H3
InChIKeyQZEWHHCNEJTRDL-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.88
Rot. Bonds1

About 2-(4-iodophenyl)-1,3,5-trimethylbenzene

2-(4-iodophenyl)-1,3,5-trimethylbenzene (PubChem CID 71396711) has the molecular formula C15H15I and a molecular weight of 322.19 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(4-iodophenyl)-1,3,5-trimethylbenzene
PubChem CID71396711
Molecular FormulaC15H15I
Molecular Weight322.19 g/mol
Exact Mass322.02
IUPAC Name2-(4-iodophenyl)-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(-c2ccc(I)cc2)c(C)c1
InChIInChI=1S/C15H15I/c1-10-8-11(2)15(12(3)9-10)13-4-6-14(16)7-5-13/h4-9H,1-3H3
InChIKeyQZEWHHCNEJTRDL-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.88
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 2-(4-iodophenyl)-1,3,5-trimethylbenzene?
The IUPAC name of 2-(4-iodophenyl)-1,3,5-trimethylbenzene (CID 71396711) is 2-(4-iodophenyl)-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(4-iodophenyl)-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(4-iodophenyl)-1,3,5-trimethylbenzene is Cc1cc(C)c(-c2ccc(I)cc2)c(C)c1.
What is the InChIKey of 2-(4-iodophenyl)-1,3,5-trimethylbenzene?
The InChIKey is QZEWHHCNEJTRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15I/c1-10-8-11(2)15(12(3)9-10)13-4-6-14(16)7-5-13/h4-9H,1-3H3.
What are the key properties of 2-(4-iodophenyl)-1,3,5-trimethylbenzene?
2-(4-iodophenyl)-1,3,5-trimethylbenzene has a molecular weight of 322.19 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1,3,5-trimethylbenzene is sourced from PubChem (CID 71396711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).