2-[1-(3,4-difluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;2-[1-(3-fluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[4-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylethyl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one

C143H160F6O18S6 — CID 158047025

About 2-[1-(3,4-difluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;2-[1-(3-fluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[4-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylethyl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one

2-[1-(3,4-difluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;2-[1-(3-fluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[4-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylethyl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one (PubChem CID 158047025) has the molecular formula C143H160F6O18S6 and a molecular weight of 2473.22 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;2-[1-(3-fluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[4-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylethyl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one.

Molecular Properties

• Compound Name: 2-[1-(3,4-difluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;2-[1-(3-fluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[4-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylethyl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one
• PubChem CID: 158047025
• Molecular Formula: C143H160F6O18S6
• Molecular Weight: 2473.22 g/mol
• Exact Mass: 2470.98
• IUPAC Name: 2-[1-(3,4-difluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;2-[1-(3-fluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[4-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylethyl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one
• SMILES: CCC(CSc1ccc(C)cc1)C1CC(O)=C(c2c(C)cc(C)cc2C)C(=O)O1.Cc1cc(C)c(C2=C(O)CC(C(C)CSc3ccc(F)c(F)c3)OC2=O)c(C)c1.Cc1cc(C)c(C2=C(O)CC(C(C)CSc3cccc(C(F)(F)F)c3)OC2=O)c(C)c1.Cc1cc(C)c(C2=C(O)CC(C(C)CSc3cccc(F)c3)OC2=O)c(C)c1.Cc1ccc(SC(C)C2CC(O)=C(c3c(C)cc(C)cc3C)C(=O)O2)cc1.Cc1ccc(SCCC(C)C2CC(O)=C(c3c(C)cc(C)cc3C)C(=O)O2)cc1
• InChI: InChI=1S/2C25H30O3S.C24H25F3O3S.C23H24F2O3S.C23H25FO3S.C23H26O3S/c1-15-6-8-20(9-7-15)29-11-10-17(3)22-14-21(26)24(25(27)28-22)23-18(4)12-16(2)13-19(23)5;1-6-19(14-29-20-9-7-15(2)8-10-20)22-13-21(26)24(25(27)28-22)23-17(4)11-16(3)12-18(23)5;1-13-8-14(2)21(15(3)9-13)22-19(28)11-20(30-23(22)29)16(4)12-31-18-7-5-6-17(10-18)24(25,26)27;1-12-7-13(2)21(14(3)8-12)22-19(26)10-20(28-23(22)27)15(4)11-29-16-5-6-17(24)18(25)9-16;1-13-8-14(2)21(15(3)9-13)22-19(25)11-20(27-23(22)26)16(4)12-28-18-7-5-6-17(24)10-18;1-13-6-8-18(9-7-13)27-17(5)20-12-19(24)22(23(25)26-20)21-15(3)10-14(2)11-16(21)4/h6-9,12-13,17,22,26H,10-11,14H2,1-5H3;7-12,19,22,26H,6,13-14H2,1-5H3;5-10,16,20,28H,11-12H2,1-4H3;5-9,15,20,26H,10-11H2,1-4H3;5-10,16,20,25H,11-12H2,1-4H3;6-11,17,20,24H,12H2,1-5H3
• InChIKey: FJARSNLZABIQET-UHFFFAOYSA-N
• XLogP: 36.64
• TPSA: 279.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2473.22
LogP ≤ 5	36.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;2-[1-(3-fluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[4-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylethyl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one?

The IUPAC name of 2-[1-(3,4-difluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;2-[1-(3-fluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[4-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylethyl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one (CID 158047025) is 2-[1-(3,4-difluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;2-[1-(3-fluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[4-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylethyl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one.

What is the SMILES notation for 2-[1-(3,4-difluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;2-[1-(3-fluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[4-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylethyl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one?

The canonical SMILES for 2-[1-(3,4-difluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;2-[1-(3-fluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[4-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylethyl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one is CCC(CSc1ccc(C)cc1)C1CC(O)=C(c2c(C)cc(C)cc2C)C(=O)O1.Cc1cc(C)c(C2=C(O)CC(C(C)CSc3ccc(F)c(F)c3)OC2=O)c(C)c1.Cc1cc(C)c(C2=C(O)CC(C(C)CSc3cccc(C(F)(F)F)c3)OC2=O)c(C)c1.Cc1cc(C)c(C2=C(O)CC(C(C)CSc3cccc(F)c3)OC2=O)c(C)c1.Cc1ccc(SC(C)C2CC(O)=C(c3c(C)cc(C)cc3C)C(=O)O2)cc1.Cc1ccc(SCCC(C)C2CC(O)=C(c3c(C)cc(C)cc3C)C(=O)O2)cc1.

What is the InChIKey of 2-[1-(3,4-difluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;2-[1-(3-fluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[4-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylethyl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one?

The InChIKey is FJARSNLZABIQET-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H30O3S.C24H25F3O3S.C23H24F2O3S.C23H25FO3S.C23H26O3S/c1-15-6-8-20(9-7-15)29-11-10-17(3)22-14-21(26)24(25(27)28-22)23-18(4)12-16(2)13-19(23)5;1-6-19(14-29-20-9-7-15(2)8-10-20)22-13-21(26)24(25(27)28-22)23-17(4)11-16(3)12-18(23)5;1-13-8-14(2)21(15(3)9-13)22-19(28)11-20(30-23(22)29)16(4)12-31-18-7-5-6-17(10-18)24(25,26)27;1-12-7-13(2)21(14(3)8-12)22-19(26)10-20(28-23(22)27)15(4)11-29-16-5-6-17(24)18(25)9-16;1-13-8-14(2)21(15(3)9-13)22-19(25)11-20(27-23(22)26)16(4)12-28-18-7-5-6-17(24)10-18;1-13-6-8-18(9-7-13)27-17(5)20-12-19(24)22(23(25)26-20)21-15(3)10-14(2)11-16(21)4/h6-9,12-13,17,22,26H,10-11,14H2,1-5H3;7-12,19,22,26H,6,13-14H2,1-5H3;5-10,16,20,28H,11-12H2,1-4H3;5-9,15,20,26H,10-11H2,1-4H3;5-10,16,20,25H,11-12H2,1-4H3;6-11,17,20,24H,12H2,1-5H3.

What are the key properties of 2-[1-(3,4-difluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;2-[1-(3-fluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[4-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylethyl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one?

2-[1-(3,4-difluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;2-[1-(3-fluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[4-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylethyl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one has a molecular weight of 2473.22 g/mol, XLogP of 36.64, 31 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(3,4-difluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;2-[1-(3-fluorophenyl)sulfanylpropan-2-yl]-4-hydroxy-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[4-(4-methylphenyl)sulfanylbutan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-(4-methylphenyl)sulfanylethyl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one;4-hydroxy-2-[1-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]-5-(2,4,6-trimethylphenyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 158047025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).