1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone

C15H15BrOS — CID 114967726

IUPAC1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(Br)c(C)c2)s1
InChIInChI=1S/C15H15BrOS/c1-3-12-5-6-13(18-12)9-15(17)11-4-7-14(16)10(2)8-11/h4-8H,3,9H2,1-2H3
InChIKeyKGLZPCRJGTURHB-UHFFFAOYSA-N
MW323.26 g/mol
LogP4.81
Rot. Bonds4

About 1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone

1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone (PubChem CID 114967726) has the molecular formula C15H15BrOS and a molecular weight of 323.26 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone
PubChem CID114967726
Molecular FormulaC15H15BrOS
Molecular Weight323.26 g/mol
Exact Mass322.00
IUPAC Name1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(Br)c(C)c2)s1
InChIInChI=1S/C15H15BrOS/c1-3-12-5-6-13(18-12)9-15(17)11-4-7-14(16)10(2)8-11/h4-8H,3,9H2,1-2H3
InChIKeyKGLZPCRJGTURHB-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3-methylphenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 116553879
1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 116547328
1-(4-bromo-3-methylphenyl)pentan-1-one
CID 54759050
2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone
CID 62622229
1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 116613118
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 114967820
2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone
CID 105089326
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 114967807
methyl 4-(4-bromo-3-methylphenyl)-4-oxobutanoate
CID 66478875
1-(4-bromo-3-methylphenyl)but-3-en-1-one
CID 114964272
2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609415
1-(4-bromo-3-methylphenyl)-2-cyclopropylethanone
CID 114974638

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone (CID 114967726) is 1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(CC(=O)c2ccc(Br)c(C)c2)s1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is KGLZPCRJGTURHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrOS/c1-3-12-5-6-13(18-12)9-15(17)11-4-7-14(16)10(2)8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone?
1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 323.26 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 114967726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).