ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone

C73H64F3N5O12 — CID 160614852

About ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone

ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone (PubChem CID 160614852) has the molecular formula C73H64F3N5O12 and a molecular weight of 1260.33 g/mol. Its IUPAC name is ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone.

Molecular Properties

• Compound Name: ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone
• PubChem CID: 160614852
• Molecular Formula: C73H64F3N5O12
• Molecular Weight: 1260.33 g/mol
• Exact Mass: 1259.45
• IUPAC Name: ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone
• SMILES: CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(OC(F)F)ccc12.CCn1cc(C#N)c2cc3c(cc21)OCO3.COc1ccc(-n2cc(C(=O)c3ccc(F)cc3)c3ccc(OC)cc32)cc1.COc1ccc(-n2cc(C(C)=O)c3ccc(OC)cc32)cc1
• InChI: InChI=1S/C23H18FNO3.C20H19F2NO4.C18H17NO3.C12H10N2O2/c1-27-18-9-7-17(8-10-18)25-14-21(20-12-11-19(28-2)13-22(20)25)23(26)15-3-5-16(24)6-4-15;1-4-26-19(24)18-12(2)23(13-5-7-14(25-3)8-6-13)17-11-15(27-20(21)22)9-10-16(17)18;1-12(20)17-11-19(13-4-6-14(21-2)7-5-13)18-10-15(22-3)8-9-16(17)18;1-2-14-6-8(5-13)9-3-11-12(4-10(9)14)16-7-15-11/h3-14H,1-2H3;5-11,20H,4H2,1-3H3;4-11H,1-3H3;3-4,6H,2,7H2,1H3
• InChIKey: RFYMVWBUBCFFEX-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 177.79 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1260.33
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone?

The IUPAC name of ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone (CID 160614852) is ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone.

What is the SMILES notation for ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone?

The canonical SMILES for ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone is CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(OC(F)F)ccc12.CCn1cc(C#N)c2cc3c(cc21)OCO3.COc1ccc(-n2cc(C(=O)c3ccc(F)cc3)c3ccc(OC)cc32)cc1.COc1ccc(-n2cc(C(C)=O)c3ccc(OC)cc32)cc1.

What is the InChIKey of ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone?

The InChIKey is RFYMVWBUBCFFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3.C20H19F2NO4.C18H17NO3.C12H10N2O2/c1-27-18-9-7-17(8-10-18)25-14-21(20-12-11-19(28-2)13-22(20)25)23(26)15-3-5-16(24)6-4-15;1-4-26-19(24)18-12(2)23(13-5-7-14(25-3)8-6-13)17-11-15(27-20(21)22)9-10-16(17)18;1-12(20)17-11-19(13-4-6-14(21-2)7-5-13)18-10-15(22-3)8-9-16(17)18;1-2-14-6-8(5-13)9-3-11-12(4-10(9)14)16-7-15-11/h3-14H,1-2H3;5-11,20H,4H2,1-3H3;4-11H,1-3H3;3-4,6H,2,7H2,1H3.

What are the key properties of ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone?

ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone has a molecular weight of 1260.33 g/mol, XLogP of 15.86, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone is sourced from PubChem (CID 160614852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).