1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone

C14H13BrOS — CID 115784134

IUPAC1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cscc2Br)c1
InChIInChI=1S/C14H13BrOS/c1-9-3-4-10(2)11(5-9)6-14(16)12-7-17-8-13(12)15/h3-5,7-8H,6H2,1-2H3
InChIKeyYHLINHDHXUPELM-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.55
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone

1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone (PubChem CID 115784134) has the molecular formula C14H13BrOS and a molecular weight of 309.23 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
PubChem CID115784134
Molecular FormulaC14H13BrOS
Molecular Weight309.23 g/mol
Exact Mass307.99
IUPAC Name1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cscc2Br)c1
InChIInChI=1S/C14H13BrOS/c1-9-3-4-10(2)11(5-9)6-14(16)12-7-17-8-13(12)15/h3-5,7-8H,6H2,1-2H3
InChIKeyYHLINHDHXUPELM-UHFFFAOYSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone
CID 115784127
1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491825
1-(2-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527175
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492510
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
CID 102826790
1-(4-bromothiophen-3-yl)-2-phenylethanone
CID 79596157
(2-amino-5-methylphenyl)-(4-bromothiophen-3-yl)methanone
CID 116581434
2-[2-(aminomethyl)phenyl]-1-(4-bromothiophen-3-yl)ethanone
CID 116596064
1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55195632
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115820172
2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
CID 105081631
2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
CID 61481684

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone (CID 115784134) is 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(CC(=O)c2cscc2Br)c1.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone?
The InChIKey is YHLINHDHXUPELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOS/c1-9-3-4-10(2)11(5-9)6-14(16)12-7-17-8-13(12)15/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone?
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone has a molecular weight of 309.23 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 115784134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).