4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole

C180H186N6O6S6 — CID 158006802

About 4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole

4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole (PubChem CID 158006802) has the molecular formula C180H186N6O6S6 and a molecular weight of 2721.91 g/mol. Its IUPAC name is 4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole.

Molecular Properties

• Compound Name: 4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole
• PubChem CID: 158006802
• Molecular Formula: C180H186N6O6S6
• Molecular Weight: 2721.91 g/mol
• Exact Mass: 2719.28
• IUPAC Name: 4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole
• SMILES: Cc1cc(C)c2[nH]ccc2c1.Cc1cc(C)c2[nH]ccc2c1.Cc1cc(C)c2occc2c1.Cc1cc(C)c2occc2c1.Cc1cc(C)c2sccc2c1.Cc1cc(C)c2sccc2c1.Cc1cc2cc[nH]c2cc1C.Cc1cc2ccoc2cc1C.Cc1cc2ccsc2cc1C.Cc1ccc(C)c2[nH]ccc12.Cc1ccc(C)c2occc12.Cc1ccc(C)c2sccc12.Cc1ccc2[nH]ccc2c1C.Cc1ccc2cc[nH]c2c1C.Cc1ccc2ccoc2c1C.Cc1ccc2ccsc2c1C.Cc1ccc2occc2c1C.Cc1ccc2sccc2c1C
• InChI: InChI=1S/6C10H11N.6C10H10O.6C10H10S/c1-7-5-9-3-4-11-10(9)6-8(7)2;2*1-7-5-8(2)10-9(6-7)3-4-11-10;1-7-3-4-10-9(8(7)2)5-6-11-10;1-7-3-4-9-5-6-11-10(9)8(7)2;1-7-3-4-8(2)10-9(7)5-6-11-10;1-7-5-9-3-4-11-10(9)6-8(7)2;2*1-7-5-8(2)10-9(6-7)3-4-11-10;1-7-3-4-10-9(8(7)2)5-6-11-10;1-7-3-4-9-5-6-11-10(9)8(7)2;1-7-3-4-8(2)10-9(7)5-6-11-10;1-7-5-9-3-4-11-10(9)6-8(7)2;2*1-7-5-8(2)10-9(6-7)3-4-11-10;1-7-3-4-10-9(8(7)2)5-6-11-10;1-7-3-4-9-5-6-11-10(9)8(7)2;1-7-3-4-8(2)10-9(7)5-6-11-10/h6*3-6,11H,1-2H3;12*3-6H,1-2H3
• InChIKey: FEJVBZOKDXALOU-UHFFFAOYSA-N
• XLogP: 56.12
• TPSA: 173.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2721.91
LogP ≤ 5	56.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole?

The IUPAC name of 4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole (CID 158006802) is 4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole.

What is the SMILES notation for 4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole?

The canonical SMILES for 4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole is Cc1cc(C)c2[nH]ccc2c1.Cc1cc(C)c2[nH]ccc2c1.Cc1cc(C)c2occc2c1.Cc1cc(C)c2occc2c1.Cc1cc(C)c2sccc2c1.Cc1cc(C)c2sccc2c1.Cc1cc2cc[nH]c2cc1C.Cc1cc2ccoc2cc1C.Cc1cc2ccsc2cc1C.Cc1ccc(C)c2[nH]ccc12.Cc1ccc(C)c2occc12.Cc1ccc(C)c2sccc12.Cc1ccc2[nH]ccc2c1C.Cc1ccc2cc[nH]c2c1C.Cc1ccc2ccoc2c1C.Cc1ccc2ccsc2c1C.Cc1ccc2occc2c1C.Cc1ccc2sccc2c1C.

What is the InChIKey of 4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole?

The InChIKey is FEJVBZOKDXALOU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C10H11N.6C10H10O.6C10H10S/c1-7-5-9-3-4-11-10(9)6-8(7)2;2*1-7-5-8(2)10-9(6-7)3-4-11-10;1-7-3-4-10-9(8(7)2)5-6-11-10;1-7-3-4-9-5-6-11-10(9)8(7)2;1-7-3-4-8(2)10-9(7)5-6-11-10;1-7-5-9-3-4-11-10(9)6-8(7)2;2*1-7-5-8(2)10-9(6-7)3-4-11-10;1-7-3-4-10-9(8(7)2)5-6-11-10;1-7-3-4-9-5-6-11-10(9)8(7)2;1-7-3-4-8(2)10-9(7)5-6-11-10;1-7-5-9-3-4-11-10(9)6-8(7)2;2*1-7-5-8(2)10-9(6-7)3-4-11-10;1-7-3-4-10-9(8(7)2)5-6-11-10;1-7-3-4-9-5-6-11-10(9)8(7)2;1-7-3-4-8(2)10-9(7)5-6-11-10/h6*3-6,11H,1-2H3;12*3-6H,1-2H3.

What are the key properties of 4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole?

4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole has a molecular weight of 2721.91 g/mol, XLogP of 56.12, 0 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole is sourced from PubChem (CID 158006802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).