(4-tert-butylphenyl)-[4-(4-iodophenoxy)-2-methylphenyl]iodanium

C23H23I2O+ — CID 162496497

IUPAC(4-tert-butylphenyl)-[4-(4-iodophenoxy)-2-methylphenyl]iodanium
SMILESCc1cc(Oc2ccc(I)cc2)ccc1[I+]c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H23I2O/c1-16-15-21(26-20-11-7-18(24)8-12-20)13-14-22(16)25-19-9-5-17(6-10-19)23(2,3)4/h5-15H,1-4H3/q+1
InChIKeySTWFWBNGKOAHTD-UHFFFAOYSA-N
MW569.24 g/mol
LogP3.82
Rot. Bonds4

About (4-tert-butylphenyl)-[4-(4-iodophenoxy)-2-methylphenyl]iodanium

(4-tert-butylphenyl)-[4-(4-iodophenoxy)-2-methylphenyl]iodanium (PubChem CID 162496497) has the molecular formula C23H23I2O+ and a molecular weight of 569.24 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-(4-iodophenoxy)-2-methylphenyl]iodanium.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-(4-iodophenoxy)-2-methylphenyl]iodanium
PubChem CID162496497
Molecular FormulaC23H23I2O+
Molecular Weight569.24 g/mol
Exact Mass568.98
IUPAC Name(4-tert-butylphenyl)-[4-(4-iodophenoxy)-2-methylphenyl]iodanium
SMILESCc1cc(Oc2ccc(I)cc2)ccc1[I+]c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H23I2O/c1-16-15-21(26-20-11-7-18(24)8-12-20)13-14-22(16)25-19-9-5-17(6-10-19)23(2,3)4/h5-15H,1-4H3/q+1
InChIKeySTWFWBNGKOAHTD-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.24
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-(4-iodophenoxy)-2-methylphenyl]iodanium?
The IUPAC name of (4-tert-butylphenyl)-[4-(4-iodophenoxy)-2-methylphenyl]iodanium (CID 162496497) is (4-tert-butylphenyl)-[4-(4-iodophenoxy)-2-methylphenyl]iodanium.
What is the SMILES notation for (4-tert-butylphenyl)-[4-(4-iodophenoxy)-2-methylphenyl]iodanium?
The canonical SMILES for (4-tert-butylphenyl)-[4-(4-iodophenoxy)-2-methylphenyl]iodanium is Cc1cc(Oc2ccc(I)cc2)ccc1[I+]c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[4-(4-iodophenoxy)-2-methylphenyl]iodanium?
The InChIKey is STWFWBNGKOAHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23I2O/c1-16-15-21(26-20-11-7-18(24)8-12-20)13-14-22(16)25-19-9-5-17(6-10-19)23(2,3)4/h5-15H,1-4H3/q+1.
What are the key properties of (4-tert-butylphenyl)-[4-(4-iodophenoxy)-2-methylphenyl]iodanium?
(4-tert-butylphenyl)-[4-(4-iodophenoxy)-2-methylphenyl]iodanium has a molecular weight of 569.24 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[4-(4-iodophenoxy)-2-methylphenyl]iodanium is sourced from PubChem (CID 162496497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).