2-[2-(4-iodophenoxy)ethyl]thiophene

C12H11IOS — CID 63775309

IUPAC2-[2-(4-iodophenoxy)ethyl]thiophene
SMILESIc1ccc(OCCc2cccs2)cc1
InChIInChI=1S/C12H11IOS/c13-10-3-5-11(6-4-10)14-8-7-12-2-1-9-15-12/h1-6,9H,7-8H2
InChIKeyGNOWUYVMFIIDAT-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.97
Rot. Bonds4

About 2-[2-(4-iodophenoxy)ethyl]thiophene

2-[2-(4-iodophenoxy)ethyl]thiophene (PubChem CID 63775309) has the molecular formula C12H11IOS and a molecular weight of 330.19 g/mol. Its IUPAC name is 2-[2-(4-iodophenoxy)ethyl]thiophene.

Molecular Properties

Compound Name2-[2-(4-iodophenoxy)ethyl]thiophene
PubChem CID63775309
Molecular FormulaC12H11IOS
Molecular Weight330.19 g/mol
Exact Mass329.96
IUPAC Name2-[2-(4-iodophenoxy)ethyl]thiophene
SMILESIc1ccc(OCCc2cccs2)cc1
InChIInChI=1S/C12H11IOS/c13-10-3-5-11(6-4-10)14-8-7-12-2-1-9-15-12/h1-6,9H,7-8H2
InChIKeyGNOWUYVMFIIDAT-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(4-iodophenoxy)ethyl]thiophene 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

4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine
CID 106748443
2-[2-[2-(4-bromophenoxy)ethoxy]ethyl]thiophene
CID 54970997
2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide
CID 55235923
N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine
CID 77005612
N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide
CID 20763518
(NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine
CID 115495566
2-thiophen-2-ylethoxysilane
CID 154346669
4-iodo-N-(2-thiophen-2-ylethyl)aniline
CID 63775663
[2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 81278557
1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethanone
CID 83119183
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine
CID 63774718

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-iodophenoxy)ethyl]thiophene?
The IUPAC name of 2-[2-(4-iodophenoxy)ethyl]thiophene (CID 63775309) is 2-[2-(4-iodophenoxy)ethyl]thiophene.
What is the SMILES notation for 2-[2-(4-iodophenoxy)ethyl]thiophene?
The canonical SMILES for 2-[2-(4-iodophenoxy)ethyl]thiophene is Ic1ccc(OCCc2cccs2)cc1.
What is the InChIKey of 2-[2-(4-iodophenoxy)ethyl]thiophene?
The InChIKey is GNOWUYVMFIIDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IOS/c13-10-3-5-11(6-4-10)14-8-7-12-2-1-9-15-12/h1-6,9H,7-8H2.
What are the key properties of 2-[2-(4-iodophenoxy)ethyl]thiophene?
2-[2-(4-iodophenoxy)ethyl]thiophene has a molecular weight of 330.19 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-iodophenoxy)ethyl]thiophene is sourced from PubChem (CID 63775309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).