2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone

C13H11BrOS — CID 79992159

IUPAC2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone
SMILESCc1ccsc1C(=O)Cc1ccccc1Br
InChIInChI=1S/C13H11BrOS/c1-9-6-7-16-13(9)12(15)8-10-4-2-3-5-11(10)14/h2-7H,8H2,1H3
InChIKeyCRNWGXZRZCASHV-UHFFFAOYSA-N
MW295.20 g/mol
LogP4.24
Rot. Bonds3

About 2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone

2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone (PubChem CID 79992159) has the molecular formula C13H11BrOS and a molecular weight of 295.20 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone
PubChem CID79992159
Molecular FormulaC13H11BrOS
Molecular Weight295.20 g/mol
Exact Mass293.97
IUPAC Name2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone
SMILESCc1ccsc1C(=O)Cc1ccccc1Br
InChIInChI=1S/C13H11BrOS/c1-9-6-7-16-13(9)12(15)8-10-4-2-3-5-11(10)14/h2-7H,8H2,1H3
InChIKeyCRNWGXZRZCASHV-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one
CID 59179659
2-(furan-2-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 115795536
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone
CID 114962510
2-methyl-3-[2-(3-methylthiophen-2-yl)-2-oxoethyl]naphthalene-1,4-dione
CID 162658724
2-(4-aminophenyl)-1-(3-methylthiophen-2-yl)ethanone
CID 116549460
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 31250662
1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one
CID 62828798
1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 115795942
2-(2-bromophenyl)acetyl bromide
CID 87290551
2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840221
N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
2-(2-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 54919565

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone (CID 79992159) is 2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone is Cc1ccsc1C(=O)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone?
The InChIKey is CRNWGXZRZCASHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrOS/c1-9-6-7-16-13(9)12(15)8-10-4-2-3-5-11(10)14/h2-7H,8H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone?
2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone has a molecular weight of 295.20 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 79992159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).