1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone

C15H14Br2O2S — CID 43220137

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C15H14Br2O2S/c1-9(2)10-5-3-4-6-13(10)19-8-12(18)11-7-14(16)20-15(11)17/h3-7,9H,8H2,1-2H3
InChIKeyZEDJDWWVCVOAGI-UHFFFAOYSA-N
MW418.15 g/mol
LogP5.66
Rot. Bonds5

About 1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone

1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone (PubChem CID 43220137) has the molecular formula C15H14Br2O2S and a molecular weight of 418.15 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone
PubChem CID43220137
Molecular FormulaC15H14Br2O2S
Molecular Weight418.15 g/mol
Exact Mass415.91
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C15H14Br2O2S/c1-9(2)10-5-3-4-6-13(10)19-8-12(18)11-7-14(16)20-15(11)17/h3-7,9H,8H2,1-2H3
InChIKeyZEDJDWWVCVOAGI-UHFFFAOYSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.15
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413870
1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 724519
1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenoxy)ethanone
CID 43220072
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413856
1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413871
1-(2,5-dibromothiophen-3-yl)-2-(2,3,5-trimethylphenoxy)ethanone
CID 43799992
3-[2-(2,5-dibromothiophen-3-yl)-2-oxoethoxy]-4-methylbenzonitrile
CID 107659315
1-(2,5-dibromothiophen-3-yl)-2-(4-methylpentan-2-yloxy)ethanone
CID 43799081
5-bromo-2-[2-(2-propan-2-ylphenoxy)acetyl]oxybenzoic acid
CID 54854378
1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone
CID 43220054
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone (CID 43220137) is 1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone is CC(C)c1ccccc1OCC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone?
The InChIKey is ZEDJDWWVCVOAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O2S/c1-9(2)10-5-3-4-6-13(10)19-8-12(18)11-7-14(16)20-15(11)17/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone?
1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone has a molecular weight of 418.15 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 43220137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).