[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium

C21H19I2O+ — CID 167331565

IUPAC[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium
SMILESCC(C)(Oc1ccc([I+]c2ccccc2)cc1)c1ccc(I)cc1
InChIInChI=1S/C21H19I2O/c1-21(2,16-8-10-17(22)11-9-16)24-20-14-12-19(13-15-20)23-18-6-4-3-5-7-18/h3-15H,1-2H3/q+1
InChIKeyKNAOOQASJYPNQW-UHFFFAOYSA-N
MW541.19 g/mol
LogP2.73
Rot. Bonds5

About [4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium

[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium (PubChem CID 167331565) has the molecular formula C21H19I2O+ and a molecular weight of 541.19 g/mol. Its IUPAC name is [4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium.

Molecular Properties

Compound Name[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium
PubChem CID167331565
Molecular FormulaC21H19I2O+
Molecular Weight541.19 g/mol
Exact Mass540.95
IUPAC Name[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium
SMILESCC(C)(Oc1ccc([I+]c2ccccc2)cc1)c1ccc(I)cc1
InChIInChI=1S/C21H19I2O/c1-21(2,16-8-10-17(22)11-9-16)24-20-14-12-19(13-15-20)23-18-6-4-3-5-7-18/h3-15H,1-2H3/q+1
InChIKeyKNAOOQASJYPNQW-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.19
LogP ≤ 52.73
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-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium?
The IUPAC name of [4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium (CID 167331565) is [4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium.
What is the SMILES notation for [4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium?
The canonical SMILES for [4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium is CC(C)(Oc1ccc([I+]c2ccccc2)cc1)c1ccc(I)cc1.
What is the InChIKey of [4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium?
The InChIKey is KNAOOQASJYPNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19I2O/c1-21(2,16-8-10-17(22)11-9-16)24-20-14-12-19(13-15-20)23-18-6-4-3-5-7-18/h3-15H,1-2H3/q+1.
What are the key properties of [4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium?
[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium has a molecular weight of 541.19 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium is sourced from PubChem (CID 167331565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).