2-ethyl-4-(2-iodophenyl)-1-methylbenzene

C15H15I — CID 142879515

IUPAC2-ethyl-4-(2-iodophenyl)-1-methylbenzene
SMILESCCc1cc(-c2ccccc2I)ccc1C
InChIInChI=1S/C15H15I/c1-3-12-10-13(9-8-11(12)2)14-6-4-5-7-15(14)16/h4-10H,3H2,1-2H3
InChIKeyXQICNFCQVGZFMN-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.83
Rot. Bonds2

About 2-ethyl-4-(2-iodophenyl)-1-methylbenzene

2-ethyl-4-(2-iodophenyl)-1-methylbenzene (PubChem CID 142879515) has the molecular formula C15H15I and a molecular weight of 322.19 g/mol. Its IUPAC name is 2-ethyl-4-(2-iodophenyl)-1-methylbenzene.

Molecular Properties

Compound Name2-ethyl-4-(2-iodophenyl)-1-methylbenzene
PubChem CID142879515
Molecular FormulaC15H15I
Molecular Weight322.19 g/mol
Exact Mass322.02
IUPAC Name2-ethyl-4-(2-iodophenyl)-1-methylbenzene
SMILESCCc1cc(-c2ccccc2I)ccc1C
InChIInChI=1S/C15H15I/c1-3-12-10-13(9-8-11(12)2)14-6-4-5-7-15(14)16/h4-10H,3H2,1-2H3
InChIKeyXQICNFCQVGZFMN-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethyl-4-(2-iodophenyl)-1-methylbenzene 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

2-ethyl-1-methyl-4-(4-methylphenyl)benzene
CID 59090118
4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene
CID 123136977
4-(4-chlorophenyl)-2-ethyl-1-methylbenzene
CID 22968913
2-butyl-4-(2-fluorophenyl)-1-methylbenzene
CID 146534667
2-ethyl-1-methyl-4-(4-propylphenyl)benzene
CID 123879424
2-iodo-4-(2-methylphenyl)-1-phenylbenzene
CID 170132192
1-iodo-2-(4-phenylphenyl)benzene
CID 12595491
2-[3-(2-aminoethyl)-4-methylphenyl]phenol
CID 115036227
1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol
CID 174751633
2-[2-(3,4-dimethylphenyl)phenyl]acetic acid
CID 82107017
1-tert-butyl-4-(2-iodophenyl)benzene
CID 22914033
4-(3,4-dimethylphenyl)-1-iodo-2-phenylbenzene
CID 139318667

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-iodophenyl)-1-methylbenzene?
The IUPAC name of 2-ethyl-4-(2-iodophenyl)-1-methylbenzene (CID 142879515) is 2-ethyl-4-(2-iodophenyl)-1-methylbenzene.
What is the SMILES notation for 2-ethyl-4-(2-iodophenyl)-1-methylbenzene?
The canonical SMILES for 2-ethyl-4-(2-iodophenyl)-1-methylbenzene is CCc1cc(-c2ccccc2I)ccc1C.
What is the InChIKey of 2-ethyl-4-(2-iodophenyl)-1-methylbenzene?
The InChIKey is XQICNFCQVGZFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15I/c1-3-12-10-13(9-8-11(12)2)14-6-4-5-7-15(14)16/h4-10H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-(2-iodophenyl)-1-methylbenzene?
2-ethyl-4-(2-iodophenyl)-1-methylbenzene has a molecular weight of 322.19 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-iodophenyl)-1-methylbenzene is sourced from PubChem (CID 142879515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).