10-(2-fluoro-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-fluoro-3-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-hydroxy-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one

C108H91F2N7O19 — CID 159992278

About 10-(2-fluoro-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-fluoro-3-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-hydroxy-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one

10-(2-fluoro-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-fluoro-3-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-hydroxy-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one (PubChem CID 159992278) has the molecular formula C108H91F2N7O19 and a molecular weight of 1828.94 g/mol. Its IUPAC name is 10-(2-fluoro-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-fluoro-3-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-hydroxy-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one.

Molecular Properties

• Compound Name: 10-(2-fluoro-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-fluoro-3-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-hydroxy-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one
• PubChem CID: 159992278
• Molecular Formula: C108H91F2N7O19
• Molecular Weight: 1828.94 g/mol
• Exact Mass: 1827.63
• IUPAC Name: 10-(2-fluoro-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-fluoro-3-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-hydroxy-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one
• SMILES: COc1cc(C2C3=C(COC3=O)Cc3ccc4cc(C)[nH]c4c32)ccc1F.COc1cc(C2C3=C(COC3=O)Cc3ccc4cn[nH]c4c32)cc(CO)c1OC.COc1cc(C2C3=C(COC3=O)Cc3ccc4cn[nH]c4c32)ccc1O.COc1ccc(C2C3=C(COC3=O)Cc3ccc4cc(C)[nH]c4c32)c(F)c1.COc1ccc(C2C3=C(COC3=O)Cc3ccc4cc(C)[nH]c4c32)cc1O
• InChI: InChI=1S/2C22H18FNO3.C22H20N2O5.C22H19NO4.C20H16N2O4/c1-11-7-14-4-3-12-8-15-10-27-22(25)20(15)18(19(12)21(14)24-11)13-5-6-16(23)17(9-13)26-2;1-11-7-13-4-3-12-8-14-10-27-22(25)19(14)20(18(12)21(13)24-11)16-6-5-15(26-2)9-17(16)23;1-27-16-7-13(6-14(9-25)21(16)28-2)17-18-11(3-4-12-8-23-24-20(12)18)5-15-10-29-22(26)19(15)17;1-11-7-14-4-3-12-8-15-10-27-22(25)20(15)18(19(12)21(14)23-11)13-5-6-17(26-2)16(24)9-13;1-25-15-7-11(4-5-14(15)23)16-17-10(2-3-12-8-21-22-19(12)17)6-13-9-26-20(24)18(13)16/h3-7,9,18,24H,8,10H2,1-2H3;3-7,9,20,24H,8,10H2,1-2H3;3-4,6-8,17,25H,5,9-10H2,1-2H3,(H,23,24);3-7,9,18,23-24H,8,10H2,1-2H3;2-5,7-8,16,23H,6,9H2,1H3,(H,21,22)
• InChIKey: OHCHCVRPDPBQLQ-UHFFFAOYSA-N
• XLogP: 17.50
• TPSA: 352.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1828.94
LogP ≤ 5	17.50
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(2-fluoro-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-fluoro-3-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-hydroxy-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one?

The IUPAC name of 10-(2-fluoro-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-fluoro-3-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-hydroxy-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one (CID 159992278) is 10-(2-fluoro-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-fluoro-3-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-hydroxy-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one.

What is the SMILES notation for 10-(2-fluoro-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-fluoro-3-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-hydroxy-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one?

The canonical SMILES for 10-(2-fluoro-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-fluoro-3-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-hydroxy-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one is COc1cc(C2C3=C(COC3=O)Cc3ccc4cc(C)[nH]c4c32)ccc1F.COc1cc(C2C3=C(COC3=O)Cc3ccc4cn[nH]c4c32)cc(CO)c1OC.COc1cc(C2C3=C(COC3=O)Cc3ccc4cn[nH]c4c32)ccc1O.COc1ccc(C2C3=C(COC3=O)Cc3ccc4cc(C)[nH]c4c32)c(F)c1.COc1ccc(C2C3=C(COC3=O)Cc3ccc4cc(C)[nH]c4c32)cc1O.

What is the InChIKey of 10-(2-fluoro-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-fluoro-3-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-hydroxy-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one?

The InChIKey is OHCHCVRPDPBQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H18FNO3.C22H20N2O5.C22H19NO4.C20H16N2O4/c1-11-7-14-4-3-12-8-15-10-27-22(25)20(15)18(19(12)21(14)24-11)13-5-6-16(23)17(9-13)26-2;1-11-7-13-4-3-12-8-14-10-27-22(25)19(14)20(18(12)21(13)24-11)16-6-5-15(26-2)9-17(16)23;1-27-16-7-13(6-14(9-25)21(16)28-2)17-18-11(3-4-12-8-23-24-20(12)18)5-15-10-29-22(26)19(15)17;1-11-7-14-4-3-12-8-15-10-27-22(25)20(15)18(19(12)21(14)23-11)13-5-6-17(26-2)16(24)9-13;1-25-15-7-11(4-5-14(15)23)16-17-10(2-3-12-8-21-22-19(12)17)6-13-9-26-20(24)18(13)16/h3-7,9,18,24H,8,10H2,1-2H3;3-7,9,20,24H,8,10H2,1-2H3;3-4,6-8,17,25H,5,9-10H2,1-2H3,(H,23,24);3-7,9,18,23-24H,8,10H2,1-2H3;2-5,7-8,16,23H,6,9H2,1H3,(H,21,22).

What are the key properties of 10-(2-fluoro-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-fluoro-3-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-hydroxy-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one?

10-(2-fluoro-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-fluoro-3-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-hydroxy-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one has a molecular weight of 1828.94 g/mol, XLogP of 17.50, 12 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(2-fluoro-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-fluoro-3-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-hydroxy-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indazol-9-one is sourced from PubChem (CID 159992278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).