1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene

C16H18I- — CID 6400107

IUPAC1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene
SMILESCc1ccc([I-]c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C16H18I/c1-11-5-7-15(13(3)9-11)17-16-8-6-12(2)10-14(16)4/h5-10H,1-4H3/q-1
InChIKeyWQNPDJCXBYTVEJ-UHFFFAOYSA-N
MW337.22 g/mol
LogP1.05
Rot. Bonds2

About 1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene

1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene (PubChem CID 6400107) has the molecular formula C16H18I- and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene
PubChem CID6400107
Molecular FormulaC16H18I-
Molecular Weight337.22 g/mol
Exact Mass337.05
IUPAC Name1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene
SMILESCc1ccc([I-]c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C16H18I/c1-11-5-7-15(13(3)9-11)17-16-8-6-12(2)10-14(16)4/h5-10H,1-4H3/q-1
InChIKeyWQNPDJCXBYTVEJ-UHFFFAOYSA-N
XLogP1.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

1,2,4-trimethylbenzene
CID 7247
2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene
CID 59061697
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene
CID 144914268
2,4-dimethylphenol
CID 67713801
formonitrile;1,2,4-trimethylbenzene
CID 90728107
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895
CID 172763014
CID 172763014
CID 175892141
CID 175892141
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
ethane;ethene;methane;1,2,4-trimethylbenzene
CID 144526220
2,4-dimethylphenol;yttrium
CID 87733318

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene?
The IUPAC name of 1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene (CID 6400107) is 1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene.
What is the SMILES notation for 1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene?
The canonical SMILES for 1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene is Cc1ccc([I-]c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene?
The InChIKey is WQNPDJCXBYTVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18I/c1-11-5-7-15(13(3)9-11)17-16-8-6-12(2)10-14(16)4/h5-10H,1-4H3/q-1.
What are the key properties of 1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene?
1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene has a molecular weight of 337.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)iodanuidyl-2,4-dimethylbenzene is sourced from PubChem (CID 6400107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).