(2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium

C16H18IO2+ — CID 157385548

IUPAC(2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium
SMILESCOc1cc(C)c([I+]c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C16H18IO2/c1-11-5-7-13(8-6-11)17-16-12(2)9-14(18-3)10-15(16)19-4/h5-10H,1-4H3/q+1
InChIKeyNIMFKIAFLGZKED-UHFFFAOYSA-N
MW369.22 g/mol
LogP0.45
Rot. Bonds4

About (2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium

(2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium (PubChem CID 157385548) has the molecular formula C16H18IO2+ and a molecular weight of 369.22 g/mol. Its IUPAC name is (2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium.

Molecular Properties

Compound Name(2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium
PubChem CID157385548
Molecular FormulaC16H18IO2+
Molecular Weight369.22 g/mol
Exact Mass369.03
IUPAC Name(2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium
SMILESCOc1cc(C)c([I+]c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C16H18IO2/c1-11-5-7-13(8-6-11)17-16-12(2)9-14(18-3)10-15(16)19-4/h5-10H,1-4H3/q+1
InChIKeyNIMFKIAFLGZKED-UHFFFAOYSA-N
XLogP0.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium?
The IUPAC name of (2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium (CID 157385548) is (2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium.
What is the SMILES notation for (2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium?
The canonical SMILES for (2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium is COc1cc(C)c([I+]c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium?
The InChIKey is NIMFKIAFLGZKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IO2/c1-11-5-7-13(8-6-11)17-16-12(2)9-14(18-3)10-15(16)19-4/h5-10H,1-4H3/q+1.
What are the key properties of (2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium?
(2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium has a molecular weight of 369.22 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxy-6-methylphenyl)-(4-methylphenyl)iodanium is sourced from PubChem (CID 157385548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).