2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone

C12H8BrIOS — CID 114967386

IUPAC2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone
SMILESO=C(Cc1ccc(Br)s1)c1cccc(I)c1
InChIInChI=1S/C12H8BrIOS/c13-12-5-4-10(16-12)7-11(15)8-2-1-3-9(14)6-8/h1-6H,7H2
InChIKeyCNLMTNWCBXONAA-UHFFFAOYSA-N
MW407.07 g/mol
LogP4.54
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone

2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone (PubChem CID 114967386) has the molecular formula C12H8BrIOS and a molecular weight of 407.07 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone
PubChem CID114967386
Molecular FormulaC12H8BrIOS
Molecular Weight407.07 g/mol
Exact Mass405.85
IUPAC Name2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone
SMILESO=C(Cc1ccc(Br)s1)c1cccc(I)c1
InChIInChI=1S/C12H8BrIOS/c13-12-5-4-10(16-12)7-11(15)8-2-1-3-9(14)6-8/h1-6H,7H2
InChIKeyCNLMTNWCBXONAA-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

1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 82809288
1-(4-amino-3-methylphenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 116553879
1-(3-iodophenyl)-2-phenylethanone
CID 24723883
1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 107944362
1-(3-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 62620401
2-(5-bromothiophen-2-yl)-1-(3,4-diethoxyphenyl)ethanone
CID 114967422
2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone
CID 114968001
2-(5-bromothiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114967329
1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 62620833
2-(4-fluorophenyl)-1-(3-iodophenyl)ethanone
CID 24723952
2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 114967413
2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethanone
CID 107944363

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone (CID 114967386) is 2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone is O=C(Cc1ccc(Br)s1)c1cccc(I)c1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone?
The InChIKey is CNLMTNWCBXONAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrIOS/c13-12-5-4-10(16-12)7-11(15)8-2-1-3-9(14)6-8/h1-6H,7H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone?
2-(5-bromothiophen-2-yl)-1-(3-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-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone is sourced from PubChem (CID 114967386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).