2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone

C15H15BrO2S — CID 114964644

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone
SMILESCCc1ccsc1C(=O)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C15H15BrO2S/c1-3-11-6-7-19-15(11)13(17)9-10-4-5-14(18-2)12(16)8-10/h4-8H,3,9H2,1-2H3
InChIKeyVIGUMFMWBZXRMZ-UHFFFAOYSA-N
MW339.25 g/mol
LogP4.51
Rot. Bonds5

About 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone

2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone (PubChem CID 114964644) has the molecular formula C15H15BrO2S and a molecular weight of 339.25 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone
PubChem CID114964644
Molecular FormulaC15H15BrO2S
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone
SMILESCCc1ccsc1C(=O)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C15H15BrO2S/c1-3-11-6-7-19-15(11)13(17)9-10-4-5-14(18-2)12(16)8-10/h4-8H,3,9H2,1-2H3
InChIKeyVIGUMFMWBZXRMZ-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide
CID 89050069
3-[(3-bromo-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336501
2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone
CID 54971414
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 114329738
2-(3-bromo-4-methoxyphenyl)-1-(4-iodophenyl)ethanone
CID 114964703
2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847432
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122836
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanone
CID 64982207
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116582135
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 114964656

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone (CID 114964644) is 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone is CCc1ccsc1C(=O)Cc1ccc(OC)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone?
The InChIKey is VIGUMFMWBZXRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2S/c1-3-11-6-7-19-15(11)13(17)9-10-4-5-14(18-2)12(16)8-10/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone?
2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone has a molecular weight of 339.25 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 114964644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).