1-(1-iodoethyl)-2,4,5-trimethylbenzene

C11H15I — CID 142348913

IUPAC1-(1-iodoethyl)-2,4,5-trimethylbenzene
SMILESCc1cc(C)c(C(C)I)cc1C
InChIInChI=1S/C11H15I/c1-7-5-9(3)11(10(4)12)6-8(7)2/h5-6,10H,1-4H3
InChIKeyUUDRZUOBUSOVMN-UHFFFAOYSA-N
MW274.15 g/mol
LogP4.11
Rot. Bonds1

About 1-(1-iodoethyl)-2,4,5-trimethylbenzene

1-(1-iodoethyl)-2,4,5-trimethylbenzene (PubChem CID 142348913) has the molecular formula C11H15I and a molecular weight of 274.15 g/mol. Its IUPAC name is 1-(1-iodoethyl)-2,4,5-trimethylbenzene.

Molecular Properties

Compound Name1-(1-iodoethyl)-2,4,5-trimethylbenzene
PubChem CID142348913
Molecular FormulaC11H15I
Molecular Weight274.15 g/mol
Exact Mass274.02
IUPAC Name1-(1-iodoethyl)-2,4,5-trimethylbenzene
SMILESCc1cc(C)c(C(C)I)cc1C
InChIInChI=1S/C11H15I/c1-7-5-9(3)11(10(4)12)6-8(7)2/h5-6,10H,1-4H3
InChIKeyUUDRZUOBUSOVMN-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 54.11
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 1-(1-iodoethyl)-2,4,5-trimethylbenzene 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

(2,4,5-trimethylphenyl)methanediamine
CID 66789754
(2,4,5-trimethylphenyl)methanedithiol
CID 22750463
[(1S)-1-(2,4,5-trimethylphenyl)ethyl]hydrazine
CID 96656268
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990669
N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine
CID 116954358
methane;1,2,4,5-tetramethylbenzene
CID 162125793
1-[1-[2,4-dimethyl-5-[1-(2,4,5-trimethylphenyl)ethyl]phenyl]ethyl]-5-[1-(5-ethyl-2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 163798434
1-(1-isocyanatoethyl)-2,4,5-trimethylbenzene
CID 83530616
2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658
N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide
CID 30404884
(2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine
CID 65422351
N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine
CID 116964332

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodoethyl)-2,4,5-trimethylbenzene?
The IUPAC name of 1-(1-iodoethyl)-2,4,5-trimethylbenzene (CID 142348913) is 1-(1-iodoethyl)-2,4,5-trimethylbenzene.
What is the SMILES notation for 1-(1-iodoethyl)-2,4,5-trimethylbenzene?
The canonical SMILES for 1-(1-iodoethyl)-2,4,5-trimethylbenzene is Cc1cc(C)c(C(C)I)cc1C.
What is the InChIKey of 1-(1-iodoethyl)-2,4,5-trimethylbenzene?
The InChIKey is UUDRZUOBUSOVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15I/c1-7-5-9(3)11(10(4)12)6-8(7)2/h5-6,10H,1-4H3.
What are the key properties of 1-(1-iodoethyl)-2,4,5-trimethylbenzene?
1-(1-iodoethyl)-2,4,5-trimethylbenzene has a molecular weight of 274.15 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodoethyl)-2,4,5-trimethylbenzene is sourced from PubChem (CID 142348913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).