1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one

C11H15BrO2S — CID 83226219

IUPAC1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one
SMILESCCCC(=O)C(OCC)c1ccc(Br)s1
InChIInChI=1S/C11H15BrO2S/c1-3-5-8(13)11(14-4-2)9-6-7-10(12)15-9/h6-7,11H,3-5H2,1-2H3
InChIKeyNCCOTEHKFVQITG-UHFFFAOYSA-N
MW291.21 g/mol
LogP3.96
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one

1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one (PubChem CID 83226219) has the molecular formula C11H15BrO2S and a molecular weight of 291.21 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one
PubChem CID83226219
Molecular FormulaC11H15BrO2S
Molecular Weight291.21 g/mol
Exact Mass290.00
IUPAC Name1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one
SMILESCCCC(=O)C(OCC)c1ccc(Br)s1
InChIInChI=1S/C11H15BrO2S/c1-3-5-8(13)11(14-4-2)9-6-7-10(12)15-9/h6-7,11H,3-5H2,1-2H3
InChIKeyNCCOTEHKFVQITG-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate
CID 150301919
2-(5-bromothiophen-2-yl)pentanoic acid
CID 82091087
ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate
CID 61104183
1-(3,4-difluorophenyl)-1-ethoxypentan-2-one
CID 83226108
2-bromo-5-(1-chlorobutyl)thiophene
CID 61085689
ethyl 3-(5-bromothiophen-2-yl)-3-(diethylamino)propanoate
CID 64540954
1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 61081527
5-amino-5-(5-bromothiophen-2-yl)pentan-2-one
CID 116940683
2-[(5-bromothiophen-2-yl)-hydroxymethyl]butanoic acid
CID 62398841
ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate
CID 61346829
methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate
CID 130055189
2-[2-amino-2-(5-bromothiophen-2-yl)ethoxy]acetamide
CID 61329171

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one (CID 83226219) is 1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one is CCCC(=O)C(OCC)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one?
The InChIKey is NCCOTEHKFVQITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2S/c1-3-5-8(13)11(14-4-2)9-6-7-10(12)15-9/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one?
1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one has a molecular weight of 291.21 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one is sourced from PubChem (CID 83226219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).