1-[4-(5-bromo-4-methylthiophen-2-yl)phenyl]ethanone

C13H11BrOS — CID 101465118

IUPAC1-[4-(5-bromo-4-methylthiophen-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C)c(Br)s2)cc1
InChIInChI=1S/C13H11BrOS/c1-8-7-12(16-13(8)14)11-5-3-10(4-6-11)9(2)15/h3-7H,1-2H3
InChIKeyYZNZZNOEJANRPO-UHFFFAOYSA-N
MW295.20 g/mol
LogP4.69
Rot. Bonds2

About 1-[4-(5-bromo-4-methylthiophen-2-yl)phenyl]ethanone

1-[4-(5-bromo-4-methylthiophen-2-yl)phenyl]ethanone (PubChem CID 101465118) has the molecular formula C13H11BrOS and a molecular weight of 295.20 g/mol. Its IUPAC name is 1-[4-(5-bromo-4-methylthiophen-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(5-bromo-4-methylthiophen-2-yl)phenyl]ethanone
PubChem CID101465118
Molecular FormulaC13H11BrOS
Molecular Weight295.20 g/mol
Exact Mass293.97
IUPAC Name1-[4-(5-bromo-4-methylthiophen-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C)c(Br)s2)cc1
InChIInChI=1S/C13H11BrOS/c1-8-7-12(16-13(8)14)11-5-3-10(4-6-11)9(2)15/h3-7H,1-2H3
InChIKeyYZNZZNOEJANRPO-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone
CID 79982080
5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide
CID 67120608
5-(5-bromo-4-methylthiophen-2-yl)-2-ethylaniline
CID 79995638
1-[4-(4-sulfanylphenyl)phenyl]ethanone
CID 12851397
1-[4-(3,5-dimethylphenyl)phenyl]ethanone
CID 11148810
3-(5-bromo-4-methylthiophen-2-yl)benzonitrile
CID 132540534
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone
CID 20641223
1-bromo-4-[(E)-3-(4-bromophenyl)but-2-en-2-yl]benzene;1-(4-bromophenyl)ethanone
CID 157172690
3-(5-bromo-4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 79997539
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone
CID 53221795

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-4-methylthiophen-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(5-bromo-4-methylthiophen-2-yl)phenyl]ethanone (CID 101465118) is 1-[4-(5-bromo-4-methylthiophen-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(5-bromo-4-methylthiophen-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(5-bromo-4-methylthiophen-2-yl)phenyl]ethanone is CC(=O)c1ccc(-c2cc(C)c(Br)s2)cc1.
What is the InChIKey of 1-[4-(5-bromo-4-methylthiophen-2-yl)phenyl]ethanone?
The InChIKey is YZNZZNOEJANRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrOS/c1-8-7-12(16-13(8)14)11-5-3-10(4-6-11)9(2)15/h3-7H,1-2H3.
What are the key properties of 1-[4-(5-bromo-4-methylthiophen-2-yl)phenyl]ethanone?
1-[4-(5-bromo-4-methylthiophen-2-yl)phenyl]ethanone has a molecular weight of 295.20 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromo-4-methylthiophen-2-yl)phenyl]ethanone is sourced from PubChem (CID 101465118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).