1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone

C13H10Br2OS — CID 43344934

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C13H10Br2OS/c1-8-4-2-3-5-9(8)6-11(16)10-7-12(14)17-13(10)15/h2-5,7H,6H2,1H3
InChIKeyPRHMSUGRIAKXSH-UHFFFAOYSA-N
MW374.10 g/mol
LogP5.01
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone

1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone (PubChem CID 43344934) has the molecular formula C13H10Br2OS and a molecular weight of 374.10 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone
PubChem CID43344934
Molecular FormulaC13H10Br2OS
Molecular Weight374.10 g/mol
Exact Mass371.88
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C13H10Br2OS/c1-8-4-2-3-5-9(8)6-11(16)10-7-12(14)17-13(10)15/h2-5,7H,6H2,1H3
InChIKeyPRHMSUGRIAKXSH-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

1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491825
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone
CID 64640545
1-(2,5-dibromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114021988
1,2-bis(2-methylphenyl)ethanone
CID 11345119
1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228317
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanone
CID 114373318
1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone
CID 107962768
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-methylphenyl)ethanone
CID 80531701
1-(2-aminophenyl)-2-(2-methylphenyl)ethanone
CID 64832569
2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone
CID 79803189
1-(2,5-dibromothiophen-3-yl)-2-(3-methylindol-1-yl)ethanone
CID 63565804
1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone
CID 43227438

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone (CID 43344934) is 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is PRHMSUGRIAKXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2OS/c1-8-4-2-3-5-9(8)6-11(16)10-7-12(14)17-13(10)15/h2-5,7H,6H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone?
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)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-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 43344934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).