2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone

C12H8BrIOS — CID 114969477

IUPAC2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
SMILESO=C(Cc1cc(Br)cs1)c1ccc(I)cc1
InChIInChI=1S/C12H8BrIOS/c13-9-5-11(16-7-9)6-12(15)8-1-3-10(14)4-2-8/h1-5,7H,6H2
InChIKeyINPSAQVXWKCIIH-UHFFFAOYSA-N
MW407.07 g/mol
LogP4.54
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone

2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone (PubChem CID 114969477) has the molecular formula C12H8BrIOS and a molecular weight of 407.07 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
PubChem CID114969477
Molecular FormulaC12H8BrIOS
Molecular Weight407.07 g/mol
Exact Mass405.85
IUPAC Name2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
SMILESO=C(Cc1cc(Br)cs1)c1ccc(I)cc1
InChIInChI=1S/C12H8BrIOS/c13-9-5-11(16-7-9)6-12(15)8-1-3-10(14)4-2-8/h1-5,7H,6H2
InChIKeyINPSAQVXWKCIIH-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.07
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone
CID 55096078
2-(4-bromothiophen-2-yl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanone
CID 114969486
1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
CID 62621383
2-(3-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969798
1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone
CID 164655288
2-(4-bromothiophen-2-yl)-N-iodoacetamide
CID 170238076
2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81147988
2-(2-bromophenyl)-1-(4-iodophenyl)ethanone
CID 24723892
1-(4-bromophenyl)-3-[(4-bromothiophen-2-yl)methyl-methylamino]propan-1-one
CID 63482092
2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885220
2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114969436
2-(4-bromothiophen-2-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114969447

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone (CID 114969477) is 2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone is O=C(Cc1cc(Br)cs1)c1ccc(I)cc1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone?
The InChIKey is INPSAQVXWKCIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrIOS/c13-9-5-11(16-7-9)6-12(15)8-1-3-10(14)4-2-8/h1-5,7H,6H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone?
2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone has a molecular weight of 407.07 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 114969477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).