2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone

C12H7BrCl2O2S — CID 60624989

IUPAC2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(COc1ccc(Br)cc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C12H7BrCl2O2S/c13-7-1-2-10(8(14)5-7)17-6-9(16)11-3-4-12(15)18-11/h1-5H,6H2
InChIKeyYVFKLWJNCXMPIJ-UHFFFAOYSA-N
MW366.06 g/mol
LogP5.08
Rot. Bonds4

About 2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone

2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone (PubChem CID 60624989) has the molecular formula C12H7BrCl2O2S and a molecular weight of 366.06 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
PubChem CID60624989
Molecular FormulaC12H7BrCl2O2S
Molecular Weight366.06 g/mol
Exact Mass363.87
IUPAC Name2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(COc1ccc(Br)cc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C12H7BrCl2O2S/c13-7-1-2-10(8(14)5-7)17-6-9(16)11-3-4-12(15)18-11/h1-5H,6H2
InChIKeyYVFKLWJNCXMPIJ-UHFFFAOYSA-N
XLogP5.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.06
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 2510894
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979
2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone
CID 60623247
2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone
CID 7809726
2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 107725167
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 2490622
2-(2-tert-butyl-4-methylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 43425728
(4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 43805082
2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 60624990
1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413871
3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-4-methylbenzonitrile
CID 113256525
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone
CID 60624463

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone (CID 60624989) is 2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone is O=C(COc1ccc(Br)cc1Cl)c1ccc(Cl)s1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is YVFKLWJNCXMPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2O2S/c13-7-1-2-10(8(14)5-7)17-6-9(16)11-3-4-12(15)18-11/h1-5H,6H2.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone?
2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 366.06 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 60624989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).