1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene

C16H18I- — CID 20802149

IUPAC1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene
SMILESCCc1ccc([I-]c2ccc(CC)cc2)cc1
InChIInChI=1S/C16H18I/c1-3-13-5-9-15(10-6-13)17-16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3/q-1
InChIKeyOBIPXJUOOCPPQA-UHFFFAOYSA-N
MW337.22 g/mol
LogP0.94
Rot. Bonds4

About 1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene

1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene (PubChem CID 20802149) has the molecular formula C16H18I- and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene.

Molecular Properties

Compound Name1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene
PubChem CID20802149
Molecular FormulaC16H18I-
Molecular Weight337.22 g/mol
Exact Mass337.05
IUPAC Name1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene
SMILESCCc1ccc([I-]c2ccc(CC)cc2)cc1
InChIInChI=1S/C16H18I/c1-3-13-5-9-15(10-6-13)17-16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3/q-1
InChIKeyOBIPXJUOOCPPQA-UHFFFAOYSA-N
XLogP0.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene
CID 134838310
1,4-diethylbenzene;ethane;methane
CID 166131756
1-ethyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 159013922
1,4-diethylbenzene;oxoalumane
CID 174317758
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
CID 57436075
CID 57436075
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
1-bromo-4-ethylbenzene
CID 15313
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1,4-diethylbenzene;heptane
CID 175370860

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene?
The IUPAC name of 1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene (CID 20802149) is 1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene.
What is the SMILES notation for 1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene?
The canonical SMILES for 1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene is CCc1ccc([I-]c2ccc(CC)cc2)cc1.
What is the InChIKey of 1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene?
The InChIKey is OBIPXJUOOCPPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18I/c1-3-13-5-9-15(10-6-13)17-16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3/q-1.
What are the key properties of 1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene?
1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene has a molecular weight of 337.22 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene is sourced from PubChem (CID 20802149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).