2-hydroxy-2-methyl-1-thiophen-2-ylpropan-1-one

C8H10O2S — CID 14977727

IUPAC2-hydroxy-2-methyl-1-thiophen-2-ylpropan-1-one
SMILESCC(C)(O)C(=O)c1cccs1
InChIInChI=1S/C8H10O2S/c1-8(2,10)7(9)6-4-3-5-11-6/h3-5,10H,1-2H3
InChIKeyXTZVPHCUSNVTDB-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.70
Rot. Bonds2

About 2-hydroxy-2-methyl-1-thiophen-2-ylpropan-1-one

2-hydroxy-2-methyl-1-thiophen-2-ylpropan-1-one (PubChem CID 14977727) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-thiophen-2-ylpropan-1-one
PubChem CID14977727
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-hydroxy-2-methyl-1-thiophen-2-ylpropan-1-one
SMILESCC(C)(O)C(=O)c1cccs1
InChIInChI=1S/C8H10O2S/c1-8(2,10)7(9)6-4-3-5-11-6/h3-5,10H,1-2H3
InChIKeyXTZVPHCUSNVTDB-UHFFFAOYSA-N
XLogP1.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-thiophen-2-ylpropan-1-one (CID 14977727) is 2-hydroxy-2-methyl-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-thiophen-2-ylpropan-1-one is CC(C)(O)C(=O)c1cccs1.
What is the InChIKey of 2-hydroxy-2-methyl-1-thiophen-2-ylpropan-1-one?
The InChIKey is XTZVPHCUSNVTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-8(2,10)7(9)6-4-3-5-11-6/h3-5,10H,1-2H3.
What are the key properties of 2-hydroxy-2-methyl-1-thiophen-2-ylpropan-1-one?
2-hydroxy-2-methyl-1-thiophen-2-ylpropan-1-one has a molecular weight of 170.23 g/mol, XLogP of 1.70, 2 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-2-ylpropan-1-one is sourced from PubChem (CID 14977727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).