4-hydroxy-6-phenyl-3-(2-phenylethylsulfanyl)pyran-2-one

C19H16O3S — CID 54681207

IUPAC4-hydroxy-6-phenyl-3-(2-phenylethylsulfanyl)pyran-2-one
SMILESO=c1oc(-c2ccccc2)cc(O)c1SCCc1ccccc1
InChIInChI=1S/C19H16O3S/c20-16-13-17(15-9-5-2-6-10-15)22-19(21)18(16)23-12-11-14-7-3-1-4-8-14/h1-10,13,20H,11-12H2
InChIKeyNRCCWHIONCHZCL-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.35
Rot. Bonds5

About 4-hydroxy-6-phenyl-3-(2-phenylethylsulfanyl)pyran-2-one

4-hydroxy-6-phenyl-3-(2-phenylethylsulfanyl)pyran-2-one (PubChem CID 54681207) has the molecular formula C19H16O3S and a molecular weight of 324.40 g/mol. Its IUPAC name is 4-hydroxy-6-phenyl-3-(2-phenylethylsulfanyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-phenyl-3-(2-phenylethylsulfanyl)pyran-2-one
PubChem CID54681207
Molecular FormulaC19H16O3S
Molecular Weight324.40 g/mol
Exact Mass324.08
IUPAC Name4-hydroxy-6-phenyl-3-(2-phenylethylsulfanyl)pyran-2-one
SMILESO=c1oc(-c2ccccc2)cc(O)c1SCCc1ccccc1
InChIInChI=1S/C19H16O3S/c20-16-13-17(15-9-5-2-6-10-15)22-19(21)18(16)23-12-11-14-7-3-1-4-8-14/h1-10,13,20H,11-12H2
InChIKeyNRCCWHIONCHZCL-UHFFFAOYSA-N
XLogP4.35
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.35
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-(2-phenylethylsulfanyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-phenyl-3-(2-phenylethylsulfanyl)pyran-2-one (CID 54681207) is 4-hydroxy-6-phenyl-3-(2-phenylethylsulfanyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-phenyl-3-(2-phenylethylsulfanyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-phenyl-3-(2-phenylethylsulfanyl)pyran-2-one is O=c1oc(-c2ccccc2)cc(O)c1SCCc1ccccc1.
What is the InChIKey of 4-hydroxy-6-phenyl-3-(2-phenylethylsulfanyl)pyran-2-one?
The InChIKey is NRCCWHIONCHZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3S/c20-16-13-17(15-9-5-2-6-10-15)22-19(21)18(16)23-12-11-14-7-3-1-4-8-14/h1-10,13,20H,11-12H2.
What are the key properties of 4-hydroxy-6-phenyl-3-(2-phenylethylsulfanyl)pyran-2-one?
4-hydroxy-6-phenyl-3-(2-phenylethylsulfanyl)pyran-2-one has a molecular weight of 324.40 g/mol, XLogP of 4.35, 5 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-(2-phenylethylsulfanyl)pyran-2-one is sourced from PubChem (CID 54681207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).