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

C23H18O3S — CID 54688986

IUPAC4-hydroxy-2,2-diphenyl-5-phenylsulfanyl-3H-pyran-6-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1Sc1ccccc1
InChIInChI=1S/C23H18O3S/c24-20-16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)26-22(25)21(20)27-19-14-8-3-9-15-19/h1-15,24H,16H2
InChIKeyJBCJYOQLWYPRAJ-UHFFFAOYSA-N
MW374.46 g/mol
LogP5.44
Rot. Bonds4

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

4-hydroxy-2,2-diphenyl-5-phenylsulfanyl-3H-pyran-6-one (PubChem CID 54688986) has the molecular formula C23H18O3S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-hydroxy-2,2-diphenyl-5-phenylsulfanyl-3H-pyran-6-one.

Molecular Properties

Compound Name4-hydroxy-2,2-diphenyl-5-phenylsulfanyl-3H-pyran-6-one
PubChem CID54688986
Molecular FormulaC23H18O3S
Molecular Weight374.46 g/mol
Exact Mass374.10
IUPAC Name4-hydroxy-2,2-diphenyl-5-phenylsulfanyl-3H-pyran-6-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1Sc1ccccc1
InChIInChI=1S/C23H18O3S/c24-20-16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)26-22(25)21(20)27-19-14-8-3-9-15-19/h1-15,24H,16H2
InChIKeyJBCJYOQLWYPRAJ-UHFFFAOYSA-N
XLogP5.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,2-diphenyl-5-phenylsulfanyl-3H-pyran-6-one?
The IUPAC name of 4-hydroxy-2,2-diphenyl-5-phenylsulfanyl-3H-pyran-6-one (CID 54688986) is 4-hydroxy-2,2-diphenyl-5-phenylsulfanyl-3H-pyran-6-one.
What is the SMILES notation for 4-hydroxy-2,2-diphenyl-5-phenylsulfanyl-3H-pyran-6-one?
The canonical SMILES for 4-hydroxy-2,2-diphenyl-5-phenylsulfanyl-3H-pyran-6-one is O=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1Sc1ccccc1.
What is the InChIKey of 4-hydroxy-2,2-diphenyl-5-phenylsulfanyl-3H-pyran-6-one?
The InChIKey is JBCJYOQLWYPRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3S/c24-20-16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)26-22(25)21(20)27-19-14-8-3-9-15-19/h1-15,24H,16H2.
What are the key properties of 4-hydroxy-2,2-diphenyl-5-phenylsulfanyl-3H-pyran-6-one?
4-hydroxy-2,2-diphenyl-5-phenylsulfanyl-3H-pyran-6-one has a molecular weight of 374.46 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,2-diphenyl-5-phenylsulfanyl-3H-pyran-6-one is sourced from PubChem (CID 54688986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).