1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene

C14H12I2O — CID 71131340

IUPAC1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene
SMILESCOc1cc(-c2ccc(I)c(C)c2)ccc1I
InChIInChI=1S/C14H12I2O/c1-9-7-10(3-5-12(9)15)11-4-6-13(16)14(8-11)17-2/h3-8H,1-2H3
InChIKeyRSJOWCVUVBGGQG-UHFFFAOYSA-N
MW450.06 g/mol
LogP4.88
Rot. Bonds2

About 1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene

1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene (PubChem CID 71131340) has the molecular formula C14H12I2O and a molecular weight of 450.06 g/mol. Its IUPAC name is 1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene.

Molecular Properties

Compound Name1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene
PubChem CID71131340
Molecular FormulaC14H12I2O
Molecular Weight450.06 g/mol
Exact Mass449.90
IUPAC Name1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene
SMILESCOc1cc(-c2ccc(I)c(C)c2)ccc1I
InChIInChI=1S/C14H12I2O/c1-9-7-10(3-5-12(9)15)11-4-6-13(16)14(8-11)17-2/h3-8H,1-2H3
InChIKeyRSJOWCVUVBGGQG-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.06
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene?
The IUPAC name of 1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene (CID 71131340) is 1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene.
What is the SMILES notation for 1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene?
The canonical SMILES for 1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene is COc1cc(-c2ccc(I)c(C)c2)ccc1I.
What is the InChIKey of 1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene?
The InChIKey is RSJOWCVUVBGGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12I2O/c1-9-7-10(3-5-12(9)15)11-4-6-13(16)14(8-11)17-2/h3-8H,1-2H3.
What are the key properties of 1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene?
1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene has a molecular weight of 450.06 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(4-iodo-3-methoxyphenyl)-2-methylbenzene is sourced from PubChem (CID 71131340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).