[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;1-(4-chlorophenyl)ethanol;4-[1-(4-chlorophenyl)ethoxy]-3-methoxybenzaldehyde;3-[[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane

C103H131Cl4IN6O12Si2 — CID 157479262

About [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;1-(4-chlorophenyl)ethanol;4-[1-(4-chlorophenyl)ethoxy]-3-methoxybenzaldehyde;3-[[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane

[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;1-(4-chlorophenyl)ethanol;4-[1-(4-chlorophenyl)ethoxy]-3-methoxybenzaldehyde;3-[[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane (PubChem CID 157479262) has the molecular formula C103H131Cl4IN6O12Si2 and a molecular weight of 1970.10 g/mol. Its IUPAC name is [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;1-(4-chlorophenyl)ethanol;4-[1-(4-chlorophenyl)ethoxy]-3-methoxybenzaldehyde;3-[[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane.

Molecular Properties

• Compound Name: [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;1-(4-chlorophenyl)ethanol;4-[1-(4-chlorophenyl)ethoxy]-3-methoxybenzaldehyde;3-[[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane
• PubChem CID: 157479262
• Molecular Formula: C103H131Cl4IN6O12Si2
• Molecular Weight: 1970.10 g/mol
• Exact Mass: 1966.72
• IUPAC Name: [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;1-(4-chlorophenyl)ethanol;4-[1-(4-chlorophenyl)ethoxy]-3-methoxybenzaldehyde;3-[[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane
• SMILES: C.C.C.C.C.C.CC(C)(C)[Si](C)(C)n1cc(I)c2cccnc21.CC(O)c1ccc(Cl)cc1.COc1cc(C(O)c2cn([Si](C)(C)C(C)(C)C)c3ncccc23)ccc1OC(C)c1ccc(Cl)cc1.COc1cc(C=O)ccc1O.COc1cc(C=O)ccc1OC(C)c1ccc(Cl)cc1.COc1cc(Cc2c[nH]c3ncccc23)ccc1OC(C)c1ccc(Cl)cc1
• InChI: InChI=1S/C29H35ClN2O3Si.C23H21ClN2O2.C16H15ClO3.C13H19IN2Si.C8H9ClO.C8H8O3.6CH4/c1-19(20-10-13-22(30)14-11-20)35-25-15-12-21(17-26(25)34-5)27(33)24-18-32(36(6,7)29(2,3)4)28-23(24)9-8-16-31-28;1-15(17-6-8-19(24)9-7-17)28-21-10-5-16(13-22(21)27-2)12-18-14-26-23-20(18)4-3-11-25-23;1-11(13-4-6-14(17)7-5-13)20-15-8-3-12(10-18)9-16(15)19-2;1-13(2,3)17(4,5)16-9-11(14)10-7-6-8-15-12(10)16;1-6(10)7-2-4-8(9)5-3-7;1-11-8-4-6(5-9)2-3-7(8)10;;;;;;/h8-19,27,33H,1-7H3;3-11,13-15H,12H2,1-2H3,(H,25,26);3-11H,1-2H3;6-9H,1-5H3;2-6,10H,1H3;2-5,10H,1H3;6*1H4
• InChIKey: BVYUDWCQCWGOOD-UHFFFAOYSA-N
• XLogP: 29.95
• TPSA: 223.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1970.10
LogP ≤ 5	29.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;1-(4-chlorophenyl)ethanol;4-[1-(4-chlorophenyl)ethoxy]-3-methoxybenzaldehyde;3-[[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane?

The IUPAC name of [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;1-(4-chlorophenyl)ethanol;4-[1-(4-chlorophenyl)ethoxy]-3-methoxybenzaldehyde;3-[[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane (CID 157479262) is [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;1-(4-chlorophenyl)ethanol;4-[1-(4-chlorophenyl)ethoxy]-3-methoxybenzaldehyde;3-[[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane.

What is the SMILES notation for [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;1-(4-chlorophenyl)ethanol;4-[1-(4-chlorophenyl)ethoxy]-3-methoxybenzaldehyde;3-[[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane?

The canonical SMILES for [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;1-(4-chlorophenyl)ethanol;4-[1-(4-chlorophenyl)ethoxy]-3-methoxybenzaldehyde;3-[[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane is C.C.C.C.C.C.CC(C)(C)[Si](C)(C)n1cc(I)c2cccnc21.CC(O)c1ccc(Cl)cc1.COc1cc(C(O)c2cn([Si](C)(C)C(C)(C)C)c3ncccc23)ccc1OC(C)c1ccc(Cl)cc1.COc1cc(C=O)ccc1O.COc1cc(C=O)ccc1OC(C)c1ccc(Cl)cc1.COc1cc(Cc2c[nH]c3ncccc23)ccc1OC(C)c1ccc(Cl)cc1.

What is the InChIKey of [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;1-(4-chlorophenyl)ethanol;4-[1-(4-chlorophenyl)ethoxy]-3-methoxybenzaldehyde;3-[[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane?

The InChIKey is BVYUDWCQCWGOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN2O3Si.C23H21ClN2O2.C16H15ClO3.C13H19IN2Si.C8H9ClO.C8H8O3.6CH4/c1-19(20-10-13-22(30)14-11-20)35-25-15-12-21(17-26(25)34-5)27(33)24-18-32(36(6,7)29(2,3)4)28-23(24)9-8-16-31-28;1-15(17-6-8-19(24)9-7-17)28-21-10-5-16(13-22(21)27-2)12-18-14-26-23-20(18)4-3-11-25-23;1-11(13-4-6-14(17)7-5-13)20-15-8-3-12(10-18)9-16(15)19-2;1-13(2,3)17(4,5)16-9-11(14)10-7-6-8-15-12(10)16;1-6(10)7-2-4-8(9)5-3-7;1-11-8-4-6(5-9)2-3-7(8)10;;;;;;/h8-19,27,33H,1-7H3;3-11,13-15H,12H2,1-2H3,(H,25,26);3-11H,1-2H3;6-9H,1-5H3;2-6,10H,1H3;2-5,10H,1H3;6*1H4.

What are the key properties of [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;1-(4-chlorophenyl)ethanol;4-[1-(4-chlorophenyl)ethoxy]-3-methoxybenzaldehyde;3-[[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane?

[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;1-(4-chlorophenyl)ethanol;4-[1-(4-chlorophenyl)ethoxy]-3-methoxybenzaldehyde;3-[[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane has a molecular weight of 1970.10 g/mol, XLogP of 29.95, 22 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;1-(4-chlorophenyl)ethanol;4-[1-(4-chlorophenyl)ethoxy]-3-methoxybenzaldehyde;3-[[4-[1-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;4-hydroxy-3-methoxybenzaldehyde;methane is sourced from PubChem (CID 157479262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).