1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone

C13H10Br2OS — CID 114969803

IUPAC1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone
SMILESCc1c(Br)cccc1C(=O)Cc1sccc1Br
InChIInChI=1S/C13H10Br2OS/c1-8-9(3-2-4-10(8)14)12(16)7-13-11(15)5-6-17-13/h2-6H,7H2,1H3
InChIKeyDFQIOFMCDOBEMO-UHFFFAOYSA-N
MW374.10 g/mol
LogP5.01
Rot. Bonds3

About 1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone

1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone (PubChem CID 114969803) has the molecular formula C13H10Br2OS and a molecular weight of 374.10 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone
PubChem CID114969803
Molecular FormulaC13H10Br2OS
Molecular Weight374.10 g/mol
Exact Mass371.88
IUPAC Name1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone
SMILESCc1c(Br)cccc1C(=O)Cc1sccc1Br
InChIInChI=1S/C13H10Br2OS/c1-8-9(3-2-4-10(8)14)12(16)7-13-11(15)5-6-17-13/h2-6H,7H2,1H3
InChIKeyDFQIOFMCDOBEMO-UHFFFAOYSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.10
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone
CID 114969742
1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 64829244
2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone
CID 62621967
2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
CID 114969747
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)ethanone
CID 114969828
1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone
CID 164654006
1-(3-bromo-2-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979463
1-(3-bromo-2-methylphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973264
1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967563
3-[(3-bromothiophen-2-yl)methylamino]-2-methylbenzamide
CID 115379961
2-(3-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610459
1-(3-bromo-2-methylphenyl)-3-methylsulfonylpropan-1-one
CID 114969645

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone (CID 114969803) is 1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone is Cc1c(Br)cccc1C(=O)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone?
The InChIKey is DFQIOFMCDOBEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2OS/c1-8-9(3-2-4-10(8)14)12(16)7-13-11(15)5-6-17-13/h2-6H,7H2,1H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone?
1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone has a molecular weight of 374.10 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 114969803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).