4-hydroxy-2,2-diphenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-6-one

C26H24O3S — CID 54689012

IUPAC4-hydroxy-2,2-diphenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-6-one
SMILESCC(C)c1ccccc1SC1=C(O)CC(c2ccccc2)(c2ccccc2)OC1=O
InChIInChI=1S/C26H24O3S/c1-18(2)21-15-9-10-16-23(21)30-24-22(27)17-26(29-25(24)28,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,27H,17H2,1-2H3
InChIKeyQDPSJFNSGXBNCF-UHFFFAOYSA-N
MW416.54 g/mol
LogP6.56
Rot. Bonds5

About 4-hydroxy-2,2-diphenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-6-one

4-hydroxy-2,2-diphenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-6-one (PubChem CID 54689012) has the molecular formula C26H24O3S and a molecular weight of 416.54 g/mol. Its IUPAC name is 4-hydroxy-2,2-diphenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-6-one.

Molecular Properties

Compound Name4-hydroxy-2,2-diphenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-6-one
PubChem CID54689012
Molecular FormulaC26H24O3S
Molecular Weight416.54 g/mol
Exact Mass416.14
IUPAC Name4-hydroxy-2,2-diphenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-6-one
SMILESCC(C)c1ccccc1SC1=C(O)CC(c2ccccc2)(c2ccccc2)OC1=O
InChIInChI=1S/C26H24O3S/c1-18(2)21-15-9-10-16-23(21)30-24-22(27)17-26(29-25(24)28,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,27H,17H2,1-2H3
InChIKeyQDPSJFNSGXBNCF-UHFFFAOYSA-N
XLogP6.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2,2-diphenyl-5-(2-propan-2-ylphenyl)sulfanyl-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 4-hydroxy-2,2-diphenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-6-one?
The IUPAC name of 4-hydroxy-2,2-diphenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-6-one (CID 54689012) is 4-hydroxy-2,2-diphenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-6-one.
What is the SMILES notation for 4-hydroxy-2,2-diphenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-6-one?
The canonical SMILES for 4-hydroxy-2,2-diphenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-6-one is CC(C)c1ccccc1SC1=C(O)CC(c2ccccc2)(c2ccccc2)OC1=O.
What is the InChIKey of 4-hydroxy-2,2-diphenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-6-one?
The InChIKey is QDPSJFNSGXBNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O3S/c1-18(2)21-15-9-10-16-23(21)30-24-22(27)17-26(29-25(24)28,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,27H,17H2,1-2H3.
What are the key properties of 4-hydroxy-2,2-diphenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-6-one?
4-hydroxy-2,2-diphenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-6-one has a molecular weight of 416.54 g/mol, XLogP of 6.56, 5 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-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-6-one is sourced from PubChem (CID 54689012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).