4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]pyran-2-one

C24H18O3S — CID 54681217

IUPAC4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]pyran-2-one
SMILESO=c1oc(-c2ccccc2)cc(O)c1C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C24H18O3S/c25-20-16-21(17-10-4-1-5-11-17)27-24(26)22(20)23(18-12-6-2-7-13-18)28-19-14-8-3-9-15-19/h1-16,23,25H
InChIKeyLVOUHVQQFFTPTD-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.89
Rot. Bonds5

About 4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]pyran-2-one

4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]pyran-2-one (PubChem CID 54681217) has the molecular formula C24H18O3S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]pyran-2-one
PubChem CID54681217
Molecular FormulaC24H18O3S
Molecular Weight386.47 g/mol
Exact Mass386.10
IUPAC Name4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]pyran-2-one
SMILESO=c1oc(-c2ccccc2)cc(O)c1C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C24H18O3S/c25-20-16-21(17-10-4-1-5-11-17)27-24(26)22(20)23(18-12-6-2-7-13-18)28-19-14-8-3-9-15-19/h1-16,23,25H
InChIKeyLVOUHVQQFFTPTD-UHFFFAOYSA-N
XLogP5.89
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]pyran-2-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 4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]pyran-2-one?
The IUPAC name of 4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]pyran-2-one (CID 54681217) is 4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]pyran-2-one is O=c1oc(-c2ccccc2)cc(O)c1C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]pyran-2-one?
The InChIKey is LVOUHVQQFFTPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O3S/c25-20-16-21(17-10-4-1-5-11-17)27-24(26)22(20)23(18-12-6-2-7-13-18)28-19-14-8-3-9-15-19/h1-16,23,25H.
What are the key properties of 4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]pyran-2-one?
4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]pyran-2-one has a molecular weight of 386.47 g/mol, XLogP of 5.89, 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-[phenyl(phenylsulfanyl)methyl]pyran-2-one is sourced from PubChem (CID 54681217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).