5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one

C24H20O3S — CID 54688999

IUPAC5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1SCc1ccccc1
InChIInChI=1S/C24H20O3S/c25-21-16-24(19-12-6-2-7-13-19,20-14-8-3-9-15-20)27-23(26)22(21)28-17-18-10-4-1-5-11-18/h1-15,25H,16-17H2
InChIKeyWJQWGWQCJVRTIM-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.58
Rot. Bonds5

About 5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one

5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one (PubChem CID 54688999) has the molecular formula C24H20O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one.

Molecular Properties

Compound Name5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one
PubChem CID54688999
Molecular FormulaC24H20O3S
Molecular Weight388.49 g/mol
Exact Mass388.11
IUPAC Name5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1SCc1ccccc1
InChIInChI=1S/C24H20O3S/c25-21-16-24(19-12-6-2-7-13-19,20-14-8-3-9-15-20)27-23(26)22(21)28-17-18-10-4-1-5-11-18/h1-15,25H,16-17H2
InChIKeyWJQWGWQCJVRTIM-UHFFFAOYSA-N
XLogP5.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one?
The IUPAC name of 5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one (CID 54688999) is 5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one.
What is the SMILES notation for 5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one?
The canonical SMILES for 5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one is O=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1SCc1ccccc1.
What is the InChIKey of 5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one?
The InChIKey is WJQWGWQCJVRTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3S/c25-21-16-24(19-12-6-2-7-13-19,20-14-8-3-9-15-20)27-23(26)22(21)28-17-18-10-4-1-5-11-18/h1-15,25H,16-17H2.
What are the key properties of 5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one?
5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one has a molecular weight of 388.49 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-4-hydroxy-2,2-diphenyl-3H-pyran-6-one is sourced from PubChem (CID 54688999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).