1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone

C15H15BrO3S — CID 43413943

IUPAC1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
SMILESCOCCc1ccc(OCC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H15BrO3S/c1-18-9-8-11-2-4-12(5-3-11)19-10-13(17)14-6-7-15(16)20-14/h2-7H,8-10H2,1H3
InChIKeyJRGBNRKHLVOKSD-UHFFFAOYSA-N
MW355.25 g/mol
LogP3.96
Rot. Bonds7

About 1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone

1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone (PubChem CID 43413943) has the molecular formula C15H15BrO3S and a molecular weight of 355.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
PubChem CID43413943
Molecular FormulaC15H15BrO3S
Molecular Weight355.25 g/mol
Exact Mass353.99
IUPAC Name1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
SMILESCOCCc1ccc(OCC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H15BrO3S/c1-18-9-8-11-2-4-12(5-3-11)19-10-13(17)14-6-7-15(16)20-14/h2-7H,8-10H2,1H3
InChIKeyJRGBNRKHLVOKSD-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43220131
1-(4-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413939
1-(2-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413948
5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide
CID 63575058
1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413945
2-[4-(2-methoxyethyl)phenoxy]ethanethioamide
CID 43352082
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 104751852
N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 61207330
4-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]-2-fluorobenzonitrile
CID 78952740
2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612207
4-[4-(2-methoxyethyl)phenoxy]butanoic acid
CID 43169586

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone (CID 43413943) is 1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone is COCCc1ccc(OCC(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone?
The InChIKey is JRGBNRKHLVOKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3S/c1-18-9-8-11-2-4-12(5-3-11)19-10-13(17)14-6-7-15(16)20-14/h2-7H,8-10H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone?
1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone has a molecular weight of 355.25 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone is sourced from PubChem (CID 43413943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).