2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one

C9H12O2S — CID 103446763

IUPAC2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
SMILESCCC(C)(O)C(=O)c1ccsc1
InChIInChI=1S/C9H12O2S/c1-3-9(2,11)8(10)7-4-5-12-6-7/h4-6,11H,3H2,1-2H3
InChIKeyVELSRHNJLPBGEA-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.09
Rot. Bonds3

About 2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one

2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one (PubChem CID 103446763) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
PubChem CID103446763
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
SMILESCCC(C)(O)C(=O)c1ccsc1
InChIInChI=1S/C9H12O2S/c1-3-9(2,11)8(10)7-4-5-12-6-7/h4-6,11H,3H2,1-2H3
InChIKeyVELSRHNJLPBGEA-UHFFFAOYSA-N
XLogP2.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one
CID 116610816
2-methyl-2-methylsulfanyl-1-thiophen-3-ylpropan-1-one
CID 130648516
2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one
CID 79065877
N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64556207
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one
CID 116598696
3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid
CID 115730873
3,5,5-trimethyl-1-thiophen-3-ylhexan-1-one
CID 114975180
N'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide
CID 140662618
N-ethyl-N-prop-2-ynylthiophene-3-carboxamide
CID 78970586
N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide
CID 103843618
2-bromo-1-thiophen-3-ylbutan-1-one
CID 59598618

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one (CID 103446763) is 2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one is CCC(C)(O)C(=O)c1ccsc1.
What is the InChIKey of 2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one?
The InChIKey is VELSRHNJLPBGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-3-9(2,11)8(10)7-4-5-12-6-7/h4-6,11H,3H2,1-2H3.
What are the key properties of 2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one?
2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one has a molecular weight of 184.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one is sourced from PubChem (CID 103446763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).