1,5-diethyl-3-iodo-2,4-dimethylbenzene

C12H17I — CID 175748743

IUPAC1,5-diethyl-3-iodo-2,4-dimethylbenzene
SMILESCCc1cc(CC)c(C)c(I)c1C
InChIInChI=1S/C12H17I/c1-5-10-7-11(6-2)9(4)12(13)8(10)3/h7H,5-6H2,1-4H3
InChIKeyWYERNOJLFAYUQW-UHFFFAOYSA-N
MW288.17 g/mol
LogP4.03
Rot. Bonds2

About 1,5-diethyl-3-iodo-2,4-dimethylbenzene

1,5-diethyl-3-iodo-2,4-dimethylbenzene (PubChem CID 175748743) has the molecular formula C12H17I and a molecular weight of 288.17 g/mol. Its IUPAC name is 1,5-diethyl-3-iodo-2,4-dimethylbenzene.

Molecular Properties

Compound Name1,5-diethyl-3-iodo-2,4-dimethylbenzene
PubChem CID175748743
Molecular FormulaC12H17I
Molecular Weight288.17 g/mol
Exact Mass288.04
IUPAC Name1,5-diethyl-3-iodo-2,4-dimethylbenzene
SMILESCCc1cc(CC)c(C)c(I)c1C
InChIInChI=1S/C12H17I/c1-5-10-7-11(6-2)9(4)12(13)8(10)3/h7H,5-6H2,1-4H3
InChIKeyWYERNOJLFAYUQW-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,5-diethyl-3-iodo-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

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-3-iodo-2,4-dimethylbenzene?
The IUPAC name of 1,5-diethyl-3-iodo-2,4-dimethylbenzene (CID 175748743) is 1,5-diethyl-3-iodo-2,4-dimethylbenzene.
What is the SMILES notation for 1,5-diethyl-3-iodo-2,4-dimethylbenzene?
The canonical SMILES for 1,5-diethyl-3-iodo-2,4-dimethylbenzene is CCc1cc(CC)c(C)c(I)c1C.
What is the InChIKey of 1,5-diethyl-3-iodo-2,4-dimethylbenzene?
The InChIKey is WYERNOJLFAYUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17I/c1-5-10-7-11(6-2)9(4)12(13)8(10)3/h7H,5-6H2,1-4H3.
What are the key properties of 1,5-diethyl-3-iodo-2,4-dimethylbenzene?
1,5-diethyl-3-iodo-2,4-dimethylbenzene has a molecular weight of 288.17 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-3-iodo-2,4-dimethylbenzene is sourced from PubChem (CID 175748743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).