1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone

C13H11BrOS — CID 65307868

IUPAC1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone
SMILESCc1ccc(Br)cc1C(=O)Cc1ccsc1
InChIInChI=1S/C13H11BrOS/c1-9-2-3-11(14)7-12(9)13(15)6-10-4-5-16-8-10/h2-5,7-8H,6H2,1H3
InChIKeyQAOQTGYKEXZUMT-UHFFFAOYSA-N
MW295.20 g/mol
LogP4.24
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone

1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone (PubChem CID 65307868) has the molecular formula C13H11BrOS and a molecular weight of 295.20 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone
PubChem CID65307868
Molecular FormulaC13H11BrOS
Molecular Weight295.20 g/mol
Exact Mass293.97
IUPAC Name1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone
SMILESCc1ccc(Br)cc1C(=O)Cc1ccsc1
InChIInChI=1S/C13H11BrOS/c1-9-2-3-11(14)7-12(9)13(15)6-10-4-5-16-8-10/h2-5,7-8H,6H2,1H3
InChIKeyQAOQTGYKEXZUMT-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054270
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412124
1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 65306864
1-(5-bromo-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 65306863
1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799150
1-(5-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 65308121
1-(2-methoxy-5-methylphenyl)-2-thiophen-3-ylethanone
CID 62504742
1-(5-bromo-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966371
1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 65308220
2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114969436
1-(5-bromo-2-methylphenyl)pentane-1,4-dione
CID 83556651
5-bromo-2-[methyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 114895625

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone (CID 65307868) is 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone is Cc1ccc(Br)cc1C(=O)Cc1ccsc1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone?
The InChIKey is QAOQTGYKEXZUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrOS/c1-9-2-3-11(14)7-12(9)13(15)6-10-4-5-16-8-10/h2-5,7-8H,6H2,1H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone?
1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone has a molecular weight of 295.20 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 65307868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).