2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone

C12H7BrCl2OS — CID 114967348

IUPAC2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)s1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H7BrCl2OS/c13-12-4-2-8(17-12)6-11(16)9-5-7(14)1-3-10(9)15/h1-5H,6H2
InChIKeyGYCIHQATYMFCNT-UHFFFAOYSA-N
MW350.06 g/mol
LogP5.24
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone

2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone (PubChem CID 114967348) has the molecular formula C12H7BrCl2OS and a molecular weight of 350.06 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone
PubChem CID114967348
Molecular FormulaC12H7BrCl2OS
Molecular Weight350.06 g/mol
Exact Mass347.88
IUPAC Name2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)s1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H7BrCl2OS/c13-12-4-2-8(17-12)6-11(16)9-5-7(14)1-3-10(9)15/h1-5H,6H2
InChIKeyGYCIHQATYMFCNT-UHFFFAOYSA-N
XLogP5.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.06
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 114894393
N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 27839407
2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101557
1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 107944362
2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone
CID 114967419
2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethanone
CID 107944363
1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 62620833
1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 82809288
2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62622151
2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885220
2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone
CID 62620241
methyl 2-[(5-bromothiophen-2-yl)methylamino]-5-chlorobenzoate
CID 43678811

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone (CID 114967348) is 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone is O=C(Cc1ccc(Br)s1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone?
The InChIKey is GYCIHQATYMFCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2OS/c13-12-4-2-8(17-12)6-11(16)9-5-7(14)1-3-10(9)15/h1-5H,6H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone?
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone has a molecular weight of 350.06 g/mol, XLogP of 5.24, 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-(2,5-dichlorophenyl)ethanone is sourced from PubChem (CID 114967348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).