4-hydroxy-6-phenyl-3-phenylsulfanylpyran-2-one

C17H12O3S — CID 54689058

IUPAC4-hydroxy-6-phenyl-3-phenylsulfanylpyran-2-one
SMILESO=c1oc(-c2ccccc2)cc(O)c1Sc1ccccc1
InChIInChI=1S/C17H12O3S/c18-14-11-15(12-7-3-1-4-8-12)20-17(19)16(14)21-13-9-5-2-6-10-13/h1-11,18H
InChIKeyIOFIOWLRZOQXNF-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.16
Rot. Bonds3

About 4-hydroxy-6-phenyl-3-phenylsulfanylpyran-2-one

4-hydroxy-6-phenyl-3-phenylsulfanylpyran-2-one (PubChem CID 54689058) has the molecular formula C17H12O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-hydroxy-6-phenyl-3-phenylsulfanylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-phenyl-3-phenylsulfanylpyran-2-one
PubChem CID54689058
Molecular FormulaC17H12O3S
Molecular Weight296.35 g/mol
Exact Mass296.05
IUPAC Name4-hydroxy-6-phenyl-3-phenylsulfanylpyran-2-one
SMILESO=c1oc(-c2ccccc2)cc(O)c1Sc1ccccc1
InChIInChI=1S/C17H12O3S/c18-14-11-15(12-7-3-1-4-8-12)20-17(19)16(14)21-13-9-5-2-6-10-13/h1-11,18H
InChIKeyIOFIOWLRZOQXNF-UHFFFAOYSA-N
XLogP4.16
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-phenyl-3-phenylsulfanylpyran-2-one?
The IUPAC name of 4-hydroxy-6-phenyl-3-phenylsulfanylpyran-2-one (CID 54689058) is 4-hydroxy-6-phenyl-3-phenylsulfanylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-phenyl-3-phenylsulfanylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-phenyl-3-phenylsulfanylpyran-2-one is O=c1oc(-c2ccccc2)cc(O)c1Sc1ccccc1.
What is the InChIKey of 4-hydroxy-6-phenyl-3-phenylsulfanylpyran-2-one?
The InChIKey is IOFIOWLRZOQXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3S/c18-14-11-15(12-7-3-1-4-8-12)20-17(19)16(14)21-13-9-5-2-6-10-13/h1-11,18H.
What are the key properties of 4-hydroxy-6-phenyl-3-phenylsulfanylpyran-2-one?
4-hydroxy-6-phenyl-3-phenylsulfanylpyran-2-one has a molecular weight of 296.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-phenyl-3-phenylsulfanylpyran-2-one is sourced from PubChem (CID 54689058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).