7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;7,8-dimethoxy-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;7-fluoro-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol;6-methyl-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol

C120H120F4O19S7 — CID 159653479

About 7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;7,8-dimethoxy-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;7-fluoro-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol;6-methyl-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol

7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;7,8-dimethoxy-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;7-fluoro-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol;6-methyl-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol (PubChem CID 159653479) has the molecular formula C120H120F4O19S7 and a molecular weight of 2166.72 g/mol. Its IUPAC name is 7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;7,8-dimethoxy-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;7-fluoro-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol;6-methyl-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol.

Molecular Properties

• Compound Name: 7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;7,8-dimethoxy-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;7-fluoro-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol;6-methyl-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol
• PubChem CID: 159653479
• Molecular Formula: C120H120F4O19S7
• Molecular Weight: 2166.72 g/mol
• Exact Mass: 2164.64
• IUPAC Name: 7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;7,8-dimethoxy-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;7-fluoro-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol;6-methyl-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol
• SMILES: COc1ccc(C2=C(O)c3ccc(F)cc3CS2)cc1.COc1ccc(C2=C(O)c3ccc(OC)c(OC)c3CS2)cc1.COc1ccc(C2SCc3c(ccc(OC)c3OC)C2O)cc1.COc1ccc(C2SCc3cc(OC(F)(F)F)ccc3C2O)cc1.COc1ccc2c(c1OC)C(C)SC(c1ccc(O)cc1)C2O.Cc1ccc2c(c1)C(O)C(C)(c1ccccc1)SC2.Cc1ccc2c(c1)C(O)C(c1ccccc1)SC2
• InChI: InChI=1S/C18H20O4S.C18H18O4S.C18H20O4S.C17H15F3O3S.C17H18OS.C16H13FO2S.C16H16OS/c2*1-20-12-6-4-11(5-7-12)18-16(19)13-8-9-15(21-2)17(22-3)14(13)10-23-18;1-10-15-13(8-9-14(21-2)17(15)22-3)16(20)18(23-10)11-4-6-12(19)7-5-11;1-22-12-4-2-10(3-5-12)16-15(21)14-7-6-13(23-17(18,19)20)8-11(14)9-24-16;1-12-8-9-13-11-19-17(2,16(18)15(13)10-12)14-6-4-3-5-7-14;1-19-13-5-2-10(3-6-13)16-15(18)14-7-4-12(17)8-11(14)9-20-16;1-11-7-8-13-10-18-16(15(17)14(13)9-11)12-5-3-2-4-6-12/h4-9,16,18-19H,10H2,1-3H3;4-9,19H,10H2,1-3H3;4-10,16,18-20H,1-3H3;2-8,15-16,21H,9H2,1H3;3-10,16,18H,11H2,1-2H3;2-8,18H,9H2,1H3;2-9,15-17H,10H2,1H3
• InChIKey: MRWIXLSKMSUEGJ-UHFFFAOYSA-N
• XLogP: 29.36
• TPSA: 263.37 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2166.72
LogP ≤ 5	29.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;7,8-dimethoxy-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;7-fluoro-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol;6-methyl-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol?

The IUPAC name of 7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;7,8-dimethoxy-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;7-fluoro-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol;6-methyl-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol (CID 159653479) is 7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;7,8-dimethoxy-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;7-fluoro-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol;6-methyl-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol.

What is the SMILES notation for 7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;7,8-dimethoxy-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;7-fluoro-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol;6-methyl-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol?

The canonical SMILES for 7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;7,8-dimethoxy-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;7-fluoro-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol;6-methyl-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol is COc1ccc(C2=C(O)c3ccc(F)cc3CS2)cc1.COc1ccc(C2=C(O)c3ccc(OC)c(OC)c3CS2)cc1.COc1ccc(C2SCc3c(ccc(OC)c3OC)C2O)cc1.COc1ccc(C2SCc3cc(OC(F)(F)F)ccc3C2O)cc1.COc1ccc2c(c1OC)C(C)SC(c1ccc(O)cc1)C2O.Cc1ccc2c(c1)C(O)C(C)(c1ccccc1)SC2.Cc1ccc2c(c1)C(O)C(c1ccccc1)SC2.

What is the InChIKey of 7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;7,8-dimethoxy-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;7-fluoro-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol;6-methyl-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol?

The InChIKey is MRWIXLSKMSUEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4S.C18H18O4S.C18H20O4S.C17H15F3O3S.C17H18OS.C16H13FO2S.C16H16OS/c2*1-20-12-6-4-11(5-7-12)18-16(19)13-8-9-15(21-2)17(22-3)14(13)10-23-18;1-10-15-13(8-9-14(21-2)17(15)22-3)16(20)18(23-10)11-4-6-12(19)7-5-11;1-22-12-4-2-10(3-5-12)16-15(21)14-7-6-13(23-17(18,19)20)8-11(14)9-24-16;1-12-8-9-13-11-19-17(2,16(18)15(13)10-12)14-6-4-3-5-7-14;1-19-13-5-2-10(3-6-13)16-15(18)14-7-4-12(17)8-11(14)9-20-16;1-11-7-8-13-10-18-16(15(17)14(13)9-11)12-5-3-2-4-6-12/h4-9,16,18-19H,10H2,1-3H3;4-9,19H,10H2,1-3H3;4-10,16,18-20H,1-3H3;2-8,15-16,21H,9H2,1H3;3-10,16,18H,11H2,1-2H3;2-8,18H,9H2,1H3;2-9,15-17H,10H2,1H3.

What are the key properties of 7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;7,8-dimethoxy-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;7-fluoro-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol;6-methyl-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol?

7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;7,8-dimethoxy-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;7-fluoro-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol;6-methyl-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol has a molecular weight of 2166.72 g/mol, XLogP of 29.36, 18 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;7,8-dimethoxy-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;7-fluoro-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol;6-methyl-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol is sourced from PubChem (CID 159653479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).