(4-bromothiophen-3-yl)-(4-iodophenyl)methanone

C11H6BrIOS — CID 115784171

IUPAC(4-bromothiophen-3-yl)-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)c1cscc1Br
InChIInChI=1S/C11H6BrIOS/c12-10-6-15-5-9(10)11(14)7-1-3-8(13)4-2-7/h1-6H
InChIKeySOTHPZIMDUVPOM-UHFFFAOYSA-N
MW393.04 g/mol
LogP4.35
Rot. Bonds2

About (4-bromothiophen-3-yl)-(4-iodophenyl)methanone

(4-bromothiophen-3-yl)-(4-iodophenyl)methanone (PubChem CID 115784171) has the molecular formula C11H6BrIOS and a molecular weight of 393.04 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(4-iodophenyl)methanone
PubChem CID115784171
Molecular FormulaC11H6BrIOS
Molecular Weight393.04 g/mol
Exact Mass391.84
IUPAC Name(4-bromothiophen-3-yl)-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)c1cscc1Br
InChIInChI=1S/C11H6BrIOS/c12-10-6-15-5-9(10)11(14)7-1-3-8(13)4-2-7/h1-6H
InChIKeySOTHPZIMDUVPOM-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.04
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-bromothiophen-3-yl)-(4-iodophenyl)methanone 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 (4-bromothiophen-3-yl)-(4-iodophenyl)methanone?
The IUPAC name of (4-bromothiophen-3-yl)-(4-iodophenyl)methanone (CID 115784171) is (4-bromothiophen-3-yl)-(4-iodophenyl)methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-(4-iodophenyl)methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-(4-iodophenyl)methanone is O=C(c1ccc(I)cc1)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-(4-iodophenyl)methanone?
The InChIKey is SOTHPZIMDUVPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrIOS/c12-10-6-15-5-9(10)11(14)7-1-3-8(13)4-2-7/h1-6H.
What are the key properties of (4-bromothiophen-3-yl)-(4-iodophenyl)methanone?
(4-bromothiophen-3-yl)-(4-iodophenyl)methanone has a molecular weight of 393.04 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(4-iodophenyl)methanone is sourced from PubChem (CID 115784171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).