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

C14H12Br2OS — CID 63491825

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cc(Br)sc2Br)c1
InChIInChI=1S/C14H12Br2OS/c1-8-3-4-9(2)10(5-8)6-12(17)11-7-13(15)18-14(11)16/h3-5,7H,6H2,1-2H3
InChIKeyDKKYYTQCKUPHSB-UHFFFAOYSA-N
MW388.12 g/mol
LogP5.32
Rot. Bonds3

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

1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone (PubChem CID 63491825) has the molecular formula C14H12Br2OS and a molecular weight of 388.12 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
PubChem CID63491825
Molecular FormulaC14H12Br2OS
Molecular Weight388.12 g/mol
Exact Mass385.90
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cc(Br)sc2Br)c1
InChIInChI=1S/C14H12Br2OS/c1-8-3-4-9(2)10(5-8)6-12(17)11-7-13(15)18-14(11)16/h3-5,7H,6H2,1-2H3
InChIKeyDKKYYTQCKUPHSB-UHFFFAOYSA-N
XLogP5.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.12
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone
CID 43344934
1-(2,5-dibromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114021988
1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenoxy)ethanone
CID 43220072
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 115784134
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492510
1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636293
1-(2-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527175
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
CID 102826790
1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone
CID 64644455
1-(2,3-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527350
1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone
CID 107962768
1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55195632

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone (CID 63491825) is 1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(CC(=O)c2cc(Br)sc2Br)c1.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone?
The InChIKey is DKKYYTQCKUPHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2OS/c1-8-3-4-9(2)10(5-8)6-12(17)11-7-13(15)18-14(11)16/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone?
1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone has a molecular weight of 388.12 g/mol, XLogP of 5.32, 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-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 63491825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).