2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone

C15H15BrO3S — CID 104708049

IUPAC2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCOc1ccc(OCC(=O)c2cc(C)sc2C)c(Br)c1
InChIInChI=1S/C15H15BrO3S/c1-9-6-12(10(2)20-9)14(17)8-19-15-5-4-11(18-3)7-13(15)16/h4-7H,8H2,1-3H3
InChIKeyPEOPNRADQVPVHL-UHFFFAOYSA-N
MW355.25 g/mol
LogP4.40
Rot. Bonds5

About 2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone

2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone (PubChem CID 104708049) has the molecular formula C15H15BrO3S and a molecular weight of 355.25 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
PubChem CID104708049
Molecular FormulaC15H15BrO3S
Molecular Weight355.25 g/mol
Exact Mass353.99
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCOc1ccc(OCC(=O)c2cc(C)sc2C)c(Br)c1
InChIInChI=1S/C15H15BrO3S/c1-9-6-12(10(2)20-9)14(17)8-19-15-5-4-11(18-3)7-13(15)16/h4-7H,8H2,1-3H3
InChIKeyPEOPNRADQVPVHL-UHFFFAOYSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612483
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662304
1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612546
2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612324
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide
CID 43231129
2-(4-benzoylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 7604377
1-(2,5-dimethylthiophen-3-yl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 28595390
1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone
CID 64638239
2-(4-butan-2-ylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 107666360
2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104705269
butyl 2-(2-bromo-4-methoxyphenoxy)acetate
CID 113443363

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone (CID 104708049) is 2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone is COc1ccc(OCC(=O)c2cc(C)sc2C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The InChIKey is PEOPNRADQVPVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3S/c1-9-6-12(10(2)20-9)14(17)8-19-15-5-4-11(18-3)7-13(15)16/h4-7H,8H2,1-3H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone has a molecular weight of 355.25 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone is sourced from PubChem (CID 104708049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).