6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one

C25H20O3S — CID 11486407

IUPAC6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one
SMILESCOc1ccc(-c2cc(-c3ccc(SC)cc3)c(-c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C25H20O3S/c1-27-20-12-8-18(9-13-20)23-16-22(17-10-14-21(29-2)15-11-17)24(25(26)28-23)19-6-4-3-5-7-19/h3-16H,1-2H3
InChIKeyMBQGAFTXQYEMNG-UHFFFAOYSA-N
MW400.50 g/mol
LogP6.37
Rot. Bonds5

About 6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one

6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one (PubChem CID 11486407) has the molecular formula C25H20O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one
PubChem CID11486407
Molecular FormulaC25H20O3S
Molecular Weight400.50 g/mol
Exact Mass400.11
IUPAC Name6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one
SMILESCOc1ccc(-c2cc(-c3ccc(SC)cc3)c(-c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C25H20O3S/c1-27-20-12-8-18(9-13-20)23-16-22(17-10-14-21(29-2)15-11-17)24(25(26)28-23)19-6-4-3-5-7-19/h3-16H,1-2H3
InChIKeyMBQGAFTXQYEMNG-UHFFFAOYSA-N
XLogP6.37
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-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

Related Compounds

6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one
CID 11428674
6-tert-butyl-3-(4-methoxyphenyl)-4-phenylpyran-2-one
CID 162397116
3-(4-fluorophenyl)-6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)pyran-2-one
CID 11178448
3-(4-methoxyphenyl)-6-phenylpyran-2-one
CID 15308954
5-(4-methoxyphenyl)-2,3-diphenylfuran
CID 2733040
3-(4-methylsulfonylphenyl)-4,6-diphenylpyran-2-one
CID 11475133
6-[4-(diethylamino)phenyl]-3,4-diphenylpyran-2-one
CID 71350905
3-(4-azidophenyl)-6-(4-ethoxyphenyl)-4-phenylpyran-2-one
CID 11475351
6-(4-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-4-phenylpyran-2-one
CID 11154312
3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran
CID 175558606
7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
CID 5038923
6-methylsulfanyl-3-(4-methylsulfonylphenyl)-4-phenylpyran-2-one
CID 11406134

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one?
The IUPAC name of 6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one (CID 11486407) is 6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one?
The canonical SMILES for 6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one is COc1ccc(-c2cc(-c3ccc(SC)cc3)c(-c3ccccc3)c(=O)o2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one?
The InChIKey is MBQGAFTXQYEMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O3S/c1-27-20-12-8-18(9-13-20)23-16-22(17-10-14-21(29-2)15-11-17)24(25(26)28-23)19-6-4-3-5-7-19/h3-16H,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one?
6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one has a molecular weight of 400.50 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one is sourced from PubChem (CID 11486407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).