2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone

C13H10BrClO2S — CID 114973583

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)c2sccc2Cl)c1
InChIInChI=1S/C13H10BrClO2S/c1-17-9-2-3-10(14)8(6-9)7-12(16)13-11(15)4-5-18-13/h2-6H,7H2,1H3
InChIKeyZHZMAUYCTHYBIY-UHFFFAOYSA-N
MW345.65 g/mol
LogP4.60
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone

2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone (PubChem CID 114973583) has the molecular formula C13H10BrClO2S and a molecular weight of 345.65 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone
PubChem CID114973583
Molecular FormulaC13H10BrClO2S
Molecular Weight345.65 g/mol
Exact Mass343.93
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)c2sccc2Cl)c1
InChIInChI=1S/C13H10BrClO2S/c1-17-9-2-3-10(14)8(6-9)7-12(16)13-11(15)4-5-18-13/h2-6H,7H2,1H3
InChIKeyZHZMAUYCTHYBIY-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.65
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407677
1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone
CID 80530028
2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101623
2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(2-bromo-5-methoxyphenyl)ethanone
CID 116585868
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
CID 114973645
1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 65328007
3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 65322037
1-(2-bromo-5-methoxyphenyl)pentan-2-one
CID 65327573
2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone
CID 114973586
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone
CID 114329747
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone (CID 114973583) is 2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone is COc1ccc(Br)c(CC(=O)c2sccc2Cl)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone?
The InChIKey is ZHZMAUYCTHYBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO2S/c1-17-9-2-3-10(14)8(6-9)7-12(16)13-11(15)4-5-18-13/h2-6H,7H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone?
2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone has a molecular weight of 345.65 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 114973583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).