1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone

C12H8BrClOS — CID 61054270

IUPAC1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H8BrClOS/c13-9-1-2-11(14)10(6-9)12(15)5-8-3-4-16-7-8/h1-4,6-7H,5H2
InChIKeyLEWGYMBJYLKCFJ-UHFFFAOYSA-N
MW315.62 g/mol
LogP4.59
Rot. Bonds3

About 1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone

1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone (PubChem CID 61054270) has the molecular formula C12H8BrClOS and a molecular weight of 315.62 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone
PubChem CID61054270
Molecular FormulaC12H8BrClOS
Molecular Weight315.62 g/mol
Exact Mass313.92
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H8BrClOS/c13-9-1-2-11(14)10(6-9)12(15)5-8-3-4-16-7-8/h1-4,6-7H,5H2
InChIKeyLEWGYMBJYLKCFJ-UHFFFAOYSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.62
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone
CID 65307868
1-(2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054052
1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one
CID 114972136
1-(5-bromo-2-chlorophenyl)-2-chloroethanone
CID 79018243
1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622132
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanone
CID 63093497
1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone
CID 116581909
5-bromo-2-[methyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 114895625
1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone
CID 112556312
1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone
CID 82703999
1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 116591699

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone (CID 61054270) is 1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone?
The InChIKey is LEWGYMBJYLKCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClOS/c13-9-1-2-11(14)10(6-9)12(15)5-8-3-4-16-7-8/h1-4,6-7H,5H2.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone?
1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone has a molecular weight of 315.62 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 61054270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).