3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene

C11H7Cl2IS — CID 80530382

IUPAC3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene
SMILESClc1ccsc1C(Cl)c1ccc(I)cc1
InChIInChI=1S/C11H7Cl2IS/c12-9-5-6-15-11(9)10(13)7-1-3-8(14)4-2-7/h1-6,10H
InChIKeyZVZMNXPYPSUFIR-UHFFFAOYSA-N
MW369.05 g/mol
LogP5.33
Rot. Bonds2

About 3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene

3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene (PubChem CID 80530382) has the molecular formula C11H7Cl2IS and a molecular weight of 369.05 g/mol. Its IUPAC name is 3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene.

Molecular Properties

Compound Name3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene
PubChem CID80530382
Molecular FormulaC11H7Cl2IS
Molecular Weight369.05 g/mol
Exact Mass367.87
IUPAC Name3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene
SMILESClc1ccsc1C(Cl)c1ccc(I)cc1
InChIInChI=1S/C11H7Cl2IS/c12-9-5-6-15-11(9)10(13)7-1-3-8(14)4-2-7/h1-6,10H
InChIKeyZVZMNXPYPSUFIR-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.05
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-2-[chloro-(4-iodophenyl)methyl]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

(3-chlorothiophen-2-yl)-(4-iodophenyl)methanol
CID 80530245
3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene
CID 80641280
3-chloro-2-[chloro-(4-ethylphenyl)methyl]thiophene
CID 80530507
2-[(3-bromo-4-methylphenyl)-chloromethyl]-3-chlorothiophene
CID 81476818
6-[chloro-(3-chlorothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 80530414
2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 80530251
3-chloro-2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]thiophene
CID 80640930
1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
CID 115864309
3-bromo-2-[chloro-(4-chlorophenyl)methyl]thiophene
CID 63798177
3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole
CID 80645382
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
2,5-dichloro-3-[chloro-(3-chlorothiophen-2-yl)methyl]thiophene
CID 80642391

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene?
The IUPAC name of 3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene (CID 80530382) is 3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene.
What is the SMILES notation for 3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene?
The canonical SMILES for 3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene is Clc1ccsc1C(Cl)c1ccc(I)cc1.
What is the InChIKey of 3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene?
The InChIKey is ZVZMNXPYPSUFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2IS/c12-9-5-6-15-11(9)10(13)7-1-3-8(14)4-2-7/h1-6,10H.
What are the key properties of 3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene?
3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene has a molecular weight of 369.05 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene is sourced from PubChem (CID 80530382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).