(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone

C13H11BrOS — CID 115784127

IUPAC(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2cscc2Br)c1
InChIInChI=1S/C13H11BrOS/c1-8-3-4-9(2)10(5-8)13(15)11-6-16-7-12(11)14/h3-7H,1-2H3
InChIKeyWEWPKWJYQIIHNC-UHFFFAOYSA-N
MW295.20 g/mol
LogP4.36
Rot. Bonds2

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

(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone (PubChem CID 115784127) has the molecular formula C13H11BrOS and a molecular weight of 295.20 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone
PubChem CID115784127
Molecular FormulaC13H11BrOS
Molecular Weight295.20 g/mol
Exact Mass293.97
IUPAC Name(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2cscc2Br)c1
InChIInChI=1S/C13H11BrOS/c1-8-3-4-9(2)10(5-8)13(15)11-6-16-7-12(11)14/h3-7H,1-2H3
InChIKeyWEWPKWJYQIIHNC-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone 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

(2-amino-5-methylphenyl)-(4-bromothiophen-3-yl)methanone
CID 116581434
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 115784134
(2-bromo-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337277
(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 106647432
N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide
CID 2439814
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43805047
(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 81110554
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone
CID 80531818
(5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 43462525
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol
CID 79596472
(2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462518

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone (CID 115784127) is (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)c2cscc2Br)c1.
What is the InChIKey of (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone?
The InChIKey is WEWPKWJYQIIHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrOS/c1-8-3-4-9(2)10(5-8)13(15)11-6-16-7-12(11)14/h3-7H,1-2H3.
What are the key properties of (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone?
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone has a molecular weight of 295.20 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 115784127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).