3-hydroxy-4-phenylsulfanylpyran-2-one

C11H8O3S — CID 11543089

IUPAC3-hydroxy-4-phenylsulfanylpyran-2-one
SMILESO=c1occc(Sc2ccccc2)c1O
InChIInChI=1S/C11H8O3S/c12-10-9(6-7-14-11(10)13)15-8-4-2-1-3-5-8/h1-7,12H
InChIKeyNCWBGGIEWMZNGV-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.50
Rot. Bonds2

About 3-hydroxy-4-phenylsulfanylpyran-2-one

3-hydroxy-4-phenylsulfanylpyran-2-one (PubChem CID 11543089) has the molecular formula C11H8O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-hydroxy-4-phenylsulfanylpyran-2-one.

Molecular Properties

Compound Name3-hydroxy-4-phenylsulfanylpyran-2-one
PubChem CID11543089
Molecular FormulaC11H8O3S
Molecular Weight220.25 g/mol
Exact Mass220.02
IUPAC Name3-hydroxy-4-phenylsulfanylpyran-2-one
SMILESO=c1occc(Sc2ccccc2)c1O
InChIInChI=1S/C11H8O3S/c12-10-9(6-7-14-11(10)13)15-8-4-2-1-3-5-8/h1-7,12H
InChIKeyNCWBGGIEWMZNGV-UHFFFAOYSA-N
XLogP2.50
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-phenylsulfanylpyran-2-one?
The IUPAC name of 3-hydroxy-4-phenylsulfanylpyran-2-one (CID 11543089) is 3-hydroxy-4-phenylsulfanylpyran-2-one.
What is the SMILES notation for 3-hydroxy-4-phenylsulfanylpyran-2-one?
The canonical SMILES for 3-hydroxy-4-phenylsulfanylpyran-2-one is O=c1occc(Sc2ccccc2)c1O.
What is the InChIKey of 3-hydroxy-4-phenylsulfanylpyran-2-one?
The InChIKey is NCWBGGIEWMZNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3S/c12-10-9(6-7-14-11(10)13)15-8-4-2-1-3-5-8/h1-7,12H.
What are the key properties of 3-hydroxy-4-phenylsulfanylpyran-2-one?
3-hydroxy-4-phenylsulfanylpyran-2-one has a molecular weight of 220.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-phenylsulfanylpyran-2-one is sourced from PubChem (CID 11543089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).