1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one

C13H10BrClOS — CID 114972136

IUPAC1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrClOS/c14-10-2-3-11(12(15)7-10)13(16)4-1-9-5-6-17-8-9/h2-3,5-8H,1,4H2
InChIKeyLECGCZLOHSLECV-UHFFFAOYSA-N
MW329.65 g/mol
LogP4.98
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one

1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one (PubChem CID 114972136) has the molecular formula C13H10BrClOS and a molecular weight of 329.65 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one
PubChem CID114972136
Molecular FormulaC13H10BrClOS
Molecular Weight329.65 g/mol
Exact Mass327.93
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrClOS/c14-10-2-3-11(12(15)7-10)13(16)4-1-9-5-6-17-8-9/h2-3,5-8H,1,4H2
InChIKeyLECGCZLOHSLECV-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.65
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054270
1-(3-bromo-2-fluorophenyl)-3-thiophen-3-ylpropan-1-one
CID 107957142
methyl 6-(4-bromo-2-chlorophenyl)-6-oxohexanoate
CID 146010872
1-(4-bromo-2-chlorophenyl)undecan-1-one
CID 114968877
1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one
CID 106790018
1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one
CID 114972180
1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one
CID 114885453
1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone
CID 65307868
1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone
CID 61055078
1-(2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054052
1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 114963420
1-(4-bromo-2-chlorophenyl)-3-(N,2-dimethylanilino)propan-1-one
CID 82777939

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one (CID 114972136) is 1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is LECGCZLOHSLECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClOS/c14-10-2-3-11(12(15)7-10)13(16)4-1-9-5-6-17-8-9/h2-3,5-8H,1,4H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one?
1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 329.65 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 114972136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).