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

C108H89FN6O21 — CID 158977629

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

10-(4-fluoro-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-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]indol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-methoxy-3-nitrophenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one (PubChem CID 158977629) has the molecular formula C108H89FN6O21 and a molecular weight of 1825.92 g/mol. Its IUPAC name is 10-(4-fluoro-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-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]indol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-methoxy-3-nitrophenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one.

Molecular Properties

• Compound Name: 10-(4-fluoro-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-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]indol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-methoxy-3-nitrophenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one
• PubChem CID: 158977629
• Molecular Formula: C108H89FN6O21
• Molecular Weight: 1825.92 g/mol
• Exact Mass: 1824.61
• IUPAC Name: 10-(4-fluoro-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-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]indol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-methoxy-3-nitrophenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one
• SMILES: COc1cc(C2C3=C(COC3=O)Cc3ccc4cc(C)[nH]c4c32)cc(CO)c1OC.COc1cc(C2C3=C(COC3=O)Cc3ccc4cc[nH]c4c32)ccc1F.COc1cc(C2C3=C(COC3=O)Cc3ccc4cc[nH]c4c32)ccc1O.COc1ccc(C2C3=C(COC3=O)Cc3ccc4cc[nH]c4c32)cc1O.COc1ccc(C2C3=C(COC3=O)Cc3ccc4cc[nH]c4c32)cc1[N+](=O)[O-]
• InChI: InChI=1S/C24H23NO5.C21H16FNO3.C21H16N2O5.2C21H17NO4/c1-12-6-14-5-4-13-7-17-11-30-24(27)21(17)19(20(13)22(14)25-12)15-8-16(10-26)23(29-3)18(9-15)28-2;1-25-16-9-13(4-5-15(16)22)17-18-12(3-2-11-6-7-23-20(11)18)8-14-10-26-21(24)19(14)17;1-27-16-5-4-13(9-15(16)23(25)26)17-18-12(3-2-11-6-7-22-20(11)18)8-14-10-28-21(24)19(14)17;1-25-16-5-4-13(9-15(16)23)17-18-12(3-2-11-6-7-22-20(11)18)8-14-10-26-21(24)19(14)17;1-25-16-9-13(4-5-15(16)23)17-18-12(3-2-11-6-7-22-20(11)18)8-14-10-26-21(24)19(14)17/h4-6,8-9,19,25-26H,7,10-11H2,1-3H3;2-7,9,17,23H,8,10H2,1H3;2-7,9,17,22H,8,10H2,1H3;2*2-7,9,17,22-23H,8,10H2,1H3
• InChIKey: JOOZTQRAEVRNAI-UHFFFAOYSA-N
• XLogP: 17.86
• TPSA: 369.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1825.92
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 10-(4-fluoro-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-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]indol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-methoxy-3-nitrophenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one (CID 158977629) is 10-(4-fluoro-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-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]indol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-methoxy-3-nitrophenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one.

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

The canonical SMILES for 10-(4-fluoro-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-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]indol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-methoxy-3-nitrophenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one is COc1cc(C2C3=C(COC3=O)Cc3ccc4cc(C)[nH]c4c32)cc(CO)c1OC.COc1cc(C2C3=C(COC3=O)Cc3ccc4cc[nH]c4c32)ccc1F.COc1cc(C2C3=C(COC3=O)Cc3ccc4cc[nH]c4c32)ccc1O.COc1ccc(C2C3=C(COC3=O)Cc3ccc4cc[nH]c4c32)cc1O.COc1ccc(C2C3=C(COC3=O)Cc3ccc4cc[nH]c4c32)cc1[N+](=O)[O-].

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

The InChIKey is JOOZTQRAEVRNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5.C21H16FNO3.C21H16N2O5.2C21H17NO4/c1-12-6-14-5-4-13-7-17-11-30-24(27)21(17)19(20(13)22(14)25-12)15-8-16(10-26)23(29-3)18(9-15)28-2;1-25-16-9-13(4-5-15(16)22)17-18-12(3-2-11-6-7-23-20(11)18)8-14-10-26-21(24)19(14)17;1-27-16-5-4-13(9-15(16)23(25)26)17-18-12(3-2-11-6-7-22-20(11)18)8-14-10-28-21(24)19(14)17;1-25-16-5-4-13(9-15(16)23)17-18-12(3-2-11-6-7-22-20(11)18)8-14-10-26-21(24)19(14)17;1-25-16-9-13(4-5-15(16)23)17-18-12(3-2-11-6-7-22-20(11)18)8-14-10-26-21(24)19(14)17/h4-6,8-9,19,25-26H,7,10-11H2,1-3H3;2-7,9,17,23H,8,10H2,1H3;2-7,9,17,22H,8,10H2,1H3;2*2-7,9,17,22-23H,8,10H2,1H3.

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

10-(4-fluoro-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-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]indol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-methoxy-3-nitrophenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one has a molecular weight of 1825.92 g/mol, XLogP of 17.86, 13 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4-fluoro-3-methoxyphenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(3-hydroxy-4-methoxyphenyl)-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]indol-9-one;10-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-2-methyl-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one;10-(4-methoxy-3-nitrophenyl)-1,6,7,10-tetrahydro-[2]benzofuro[5,6-g]indol-9-one is sourced from PubChem (CID 158977629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).