4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene

C17H20I- — CID 152932841

IUPAC4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene
SMILESCC[I-]c1ccc(C)c(Cc2ccc(C)cc2)c1
InChIInChI=1S/C17H20I/c1-4-18-17-10-7-14(3)16(12-17)11-15-8-5-13(2)6-9-15/h5-10,12H,4,11H2,1-3H3/q-1
InChIKeyUDIHVGSDWQVHQX-UHFFFAOYSA-N
MW351.25 g/mol
LogP1.17
Rot. Bonds4

About 4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene

4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene (PubChem CID 152932841) has the molecular formula C17H20I- and a molecular weight of 351.25 g/mol. Its IUPAC name is 4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene
PubChem CID152932841
Molecular FormulaC17H20I-
Molecular Weight351.25 g/mol
Exact Mass351.06
IUPAC Name4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene
SMILESCC[I-]c1ccc(C)c(Cc2ccc(C)cc2)c1
InChIInChI=1S/C17H20I/c1-4-18-17-10-7-14(3)16(12-17)11-15-8-5-13(2)6-9-15/h5-10,12H,4,11H2,1-3H3/q-1
InChIKeyUDIHVGSDWQVHQX-UHFFFAOYSA-N
XLogP1.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene 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-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene
CID 134273625
2-[(2,5-dimethylphenyl)methyl]naphthalene
CID 101429734
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
(2R,3S,4S,5R,6R)-2-ethyl-3,4,5-trimethyl-6-[4-methyl-3-[(4-methylphenyl)methyl]phenyl]oxane
CID 59073453
2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
CID 134273654
4-[(2,5-dimethylphenyl)methyl]benzoic acid
CID 116927171
1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene
CID 89328807
1-methyl-5-[(4-methylphenyl)methyl]naphthalene
CID 18684384
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
1-[(2-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]benzene
CID 22919163
4,6-bis[(4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid
CID 22269445

Frequently Asked Questions

What is the IUPAC name of 4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene?
The IUPAC name of 4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene (CID 152932841) is 4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene is CC[I-]c1ccc(C)c(Cc2ccc(C)cc2)c1.
What is the InChIKey of 4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene?
The InChIKey is UDIHVGSDWQVHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20I/c1-4-18-17-10-7-14(3)16(12-17)11-15-8-5-13(2)6-9-15/h5-10,12H,4,11H2,1-3H3/q-1.
What are the key properties of 4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene?
4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene has a molecular weight of 351.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 152932841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).