2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone

C15H14Br2O2S — CID 115402471

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone
SMILESCC(C)c1cc(Br)ccc1OCC(=O)c1sccc1Br
InChIInChI=1S/C15H14Br2O2S/c1-9(2)11-7-10(16)3-4-14(11)19-8-13(18)15-12(17)5-6-20-15/h3-7,9H,8H2,1-2H3
InChIKeyHCYDUNUQCAFQGI-UHFFFAOYSA-N
MW418.15 g/mol
LogP5.66
Rot. Bonds5

About 2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone

2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone (PubChem CID 115402471) has the molecular formula C15H14Br2O2S and a molecular weight of 418.15 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone
PubChem CID115402471
Molecular FormulaC15H14Br2O2S
Molecular Weight418.15 g/mol
Exact Mass415.91
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone
SMILESCC(C)c1cc(Br)ccc1OCC(=O)c1sccc1Br
InChIInChI=1S/C15H14Br2O2S/c1-9(2)11-7-10(16)3-4-14(11)19-8-13(18)15-12(17)5-6-20-15/h3-7,9H,8H2,1-2H3
InChIKeyHCYDUNUQCAFQGI-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

Analyze 2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-bromothiophen-2-yl)-2-oxoethoxy]-4-chlorobenzonitrile
CID 114323779
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 115401934
1-(3-bromothiophen-2-yl)-2-(2-methyl-4-nitrophenoxy)ethanone
CID 115766248
3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide
CID 115402117
2-[2-(3-bromothiophen-2-yl)-2-oxoethoxy]benzonitrile
CID 62030999
1-(3-bromothiophen-2-yl)-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 60779076
1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 63654295
methyl 3-(4-bromo-2-propan-2-ylphenoxy)-2,2-dimethylpropanoate
CID 113302849
2-(4-bromo-2-propan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 19201398
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 115401978
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone (CID 115402471) is 2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone is CC(C)c1cc(Br)ccc1OCC(=O)c1sccc1Br.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone?
The InChIKey is HCYDUNUQCAFQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O2S/c1-9(2)11-7-10(16)3-4-14(11)19-8-13(18)15-12(17)5-6-20-15/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone?
2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)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 2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 115402471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).