4-hydroxy-6-(2-methoxyphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one

C21H20O4S — CID 54681211

IUPAC4-hydroxy-6-(2-methoxyphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one
SMILESCOc1ccccc1-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1
InChIInChI=1S/C21H20O4S/c1-13(2)14-8-5-7-11-19(14)26-20-16(22)12-18(25-21(20)23)15-9-4-6-10-17(15)24-3/h4-13,22H,1-3H3
InChIKeyOGYFLKVIQSYXFJ-UHFFFAOYSA-N
MW368.45 g/mol
LogP5.30
Rot. Bonds5

About 4-hydroxy-6-(2-methoxyphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one

4-hydroxy-6-(2-methoxyphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one (PubChem CID 54681211) has the molecular formula C21H20O4S and a molecular weight of 368.45 g/mol. Its IUPAC name is 4-hydroxy-6-(2-methoxyphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(2-methoxyphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one
PubChem CID54681211
Molecular FormulaC21H20O4S
Molecular Weight368.45 g/mol
Exact Mass368.11
IUPAC Name4-hydroxy-6-(2-methoxyphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one
SMILESCOc1ccccc1-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1
InChIInChI=1S/C21H20O4S/c1-13(2)14-8-5-7-11-19(14)26-20-16(22)12-18(25-21(20)23)15-9-4-6-10-17(15)24-3/h4-13,22H,1-3H3
InChIKeyOGYFLKVIQSYXFJ-UHFFFAOYSA-N
XLogP5.30
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(2-methoxyphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one?
The IUPAC name of 4-hydroxy-6-(2-methoxyphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one (CID 54681211) is 4-hydroxy-6-(2-methoxyphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-(2-methoxyphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-(2-methoxyphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one is COc1ccccc1-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-(2-methoxyphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one?
The InChIKey is OGYFLKVIQSYXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4S/c1-13(2)14-8-5-7-11-19(14)26-20-16(22)12-18(25-21(20)23)15-9-4-6-10-17(15)24-3/h4-13,22H,1-3H3.
What are the key properties of 4-hydroxy-6-(2-methoxyphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one?
4-hydroxy-6-(2-methoxyphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one has a molecular weight of 368.45 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(2-methoxyphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one is sourced from PubChem (CID 54681211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).