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

C7H8O2S — CID 15048018

IUPAC1-hydroxy-1-thiophen-2-ylpropan-2-one
SMILESCC(=O)C(O)c1cccs1
InChIInChI=1S/C7H8O2S/c1-5(8)7(9)6-3-2-4-10-6/h2-4,7,9H,1H3
InChIKeyVETMBNMZGKRGDT-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.37
Rot. Bonds2

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

1-hydroxy-1-thiophen-2-ylpropan-2-one (PubChem CID 15048018) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-hydroxy-1-thiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-hydroxy-1-thiophen-2-ylpropan-2-one
PubChem CID15048018
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name1-hydroxy-1-thiophen-2-ylpropan-2-one
SMILESCC(=O)C(O)c1cccs1
InChIInChI=1S/C7H8O2S/c1-5(8)7(9)6-3-2-4-10-6/h2-4,7,9H,1H3
InChIKeyVETMBNMZGKRGDT-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
(2R)-2-hydroxy-1,2-dithiophen-2-ylethanone
CID 725360
1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride
CID 68828667
2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol
CID 126740844
[(1R,2R)-2-acetyloxy-1,2-dithiophen-2-ylethyl] acetate
CID 10710099
4-thiophen-2-ylheptane-2,6-dione
CID 135077736
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
CID 110663586
1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride
CID 70036600
3-methyl-1-thiophen-2-ylbut-2-en-1-ol
CID 79190233
2-propan-2-ylthiophene
CID 178128598
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-thiophen-2-ylpropan-2-one?
The IUPAC name of 1-hydroxy-1-thiophen-2-ylpropan-2-one (CID 15048018) is 1-hydroxy-1-thiophen-2-ylpropan-2-one.
What is the SMILES notation for 1-hydroxy-1-thiophen-2-ylpropan-2-one?
The canonical SMILES for 1-hydroxy-1-thiophen-2-ylpropan-2-one is CC(=O)C(O)c1cccs1.
What is the InChIKey of 1-hydroxy-1-thiophen-2-ylpropan-2-one?
The InChIKey is VETMBNMZGKRGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-5(8)7(9)6-3-2-4-10-6/h2-4,7,9H,1H3.
What are the key properties of 1-hydroxy-1-thiophen-2-ylpropan-2-one?
1-hydroxy-1-thiophen-2-ylpropan-2-one has a molecular weight of 156.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-thiophen-2-ylpropan-2-one is sourced from PubChem (CID 15048018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).