5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine

C60H61N3O6S4 — CID 161401707

About 5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine

5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine (PubChem CID 161401707) has the molecular formula C60H61N3O6S4 and a molecular weight of 1048.43 g/mol. Its IUPAC name is 5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine.

Molecular Properties

• Compound Name: 5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine
• PubChem CID: 161401707
• Molecular Formula: C60H61N3O6S4
• Molecular Weight: 1048.43 g/mol
• Exact Mass: 1047.34
• IUPAC Name: 5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine
• SMILES: COc1ccc2[nH]c(C)cc2c1.COc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)sc2c1.COc1ccc2cc(C)sc2n1.COc1ccc2sc(C)cc2c1.COc1cnc2cc(C)sc2c1
• InChI: InChI=1S/C12H12O.C10H11NO.2C10H10OS.2C9H9NOS/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-7-5-8-3-4-9(11-2)6-10(8)12-7;1-6-3-8-9(12-6)4-7(11-2)5-10-8;1-6-5-7-3-4-8(11-2)10-9(7)12-6/h3-8H,1-2H3;3-6,11H,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3
• InChIKey: VUHYOCPJEVNLTJ-UHFFFAOYSA-N
• XLogP: 17.31
• TPSA: 96.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1048.43
LogP ≤ 5	17.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine?

The IUPAC name of 5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine (CID 161401707) is 5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine.

What is the SMILES notation for 5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine?

The canonical SMILES for 5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine is COc1ccc2[nH]c(C)cc2c1.COc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)sc2c1.COc1ccc2cc(C)sc2n1.COc1ccc2sc(C)cc2c1.COc1cnc2cc(C)sc2c1.

What is the InChIKey of 5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine?

The InChIKey is VUHYOCPJEVNLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C10H11NO.2C10H10OS.2C9H9NOS/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-7-5-8-3-4-9(11-2)6-10(8)12-7;1-6-3-8-9(12-6)4-7(11-2)5-10-8;1-6-5-7-3-4-8(11-2)10-9(7)12-6/h3-8H,1-2H3;3-6,11H,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3.

What are the key properties of 5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine?

5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine has a molecular weight of 1048.43 g/mol, XLogP of 17.31, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;2-methoxy-6-methylnaphthalene;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine is sourced from PubChem (CID 161401707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).