2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one

C15H14BrClO2S — CID 107725139

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESCc1cc(OC(C)C(=O)c2ccc(Cl)s2)cc(C)c1Br
InChIInChI=1S/C15H14BrClO2S/c1-8-6-11(7-9(2)14(8)16)19-10(3)15(18)12-4-5-13(17)20-12/h4-7,10H,1-3H3
InChIKeyXMAAVTHULULVQV-UHFFFAOYSA-N
MW373.70 g/mol
LogP5.43
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one

2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one (PubChem CID 107725139) has the molecular formula C15H14BrClO2S and a molecular weight of 373.70 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one
PubChem CID107725139
Molecular FormulaC15H14BrClO2S
Molecular Weight373.70 g/mol
Exact Mass371.96
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESCc1cc(OC(C)C(=O)c2ccc(Cl)s2)cc(C)c1Br
InChIInChI=1S/C15H14BrClO2S/c1-8-6-11(7-9(2)14(8)16)19-10(3)15(18)12-4-5-13(17)20-12/h4-7,10H,1-3H3
InChIKeyXMAAVTHULULVQV-UHFFFAOYSA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.70
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one
CID 43799779
2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 107725167
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one
CID 43799802
2-(1,3-benzodioxol-5-yloxy)-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43799201
2-(2-bromo-5-nitrophenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one
CID 103011080
2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one
CID 105111629
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
5-[1-(4-bromo-3,5-dimethylphenoxy)-3-methylbutyl]thiophene-2-carboxylic acid
CID 59355984
1-(5-chlorothiophen-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 43798494
1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one
CID 62140850
2-(4-bromo-3,5-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 107724467
2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
CID 103520360

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one (CID 107725139) is 2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one is Cc1cc(OC(C)C(=O)c2ccc(Cl)s2)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one?
The InChIKey is XMAAVTHULULVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2S/c1-8-6-11(7-9(2)14(8)16)19-10(3)15(18)12-4-5-13(17)20-12/h4-7,10H,1-3H3.
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one?
2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one has a molecular weight of 373.70 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one is sourced from PubChem (CID 107725139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).