benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine

C122H154N4O6S7 — CID 157125569

About benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine

benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine (PubChem CID 157125569) has the molecular formula C122H154N4O6S7 and a molecular weight of 1997.06 g/mol. Its IUPAC name is benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine.

Molecular Properties

• Compound Name: benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine
• PubChem CID: 157125569
• Molecular Formula: C122H154N4O6S7
• Molecular Weight: 1997.06 g/mol
• Exact Mass: 1994.99
• IUPAC Name: benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine
• SMILES: CC.CC.CC.CC.CC.CC.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1cc2sc(C)cc2o1.Cc1cc2sc(C)cc2s1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2cc(C)oc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2ccccc2c1.Cc1ccccn1.Cc1cnc(C)cn1.Cc1sc(C)c2c1OCCO2.c1ccccc1
• InChI: InChI=1S/C11H10.C10H10O.C10H10S.C9H8O.C9H8S.C8H10O2S.C8H8OS.C8H8S2.C7H9N.C6H8N2.C6H7N.C6H8O.C6H8S.C6H6.6C2H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-7-3-4-9-6-8(2)11-10(9)5-7;2*1-7-6-8-4-2-3-5-9(8)10-7;1-5-7-8(6(2)11-5)10-4-3-9-7;1-5-3-8-7(9-5)4-6(2)10-8;1-5-3-7-8(9-5)4-6(2)10-7;1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-6-4-2-3-5-7-6;2*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;6*1-2/h2-8H,1H3;2*3-6H,1-2H3;2*2-6H,1H3;3-4H2,1-2H3;2*3-4H,1-2H3;3-5H,1-2H3;3-4H,1-2H3;2-5H,1H3;2*3-4H,1-2H3;1-6H;6*1-2H3
• InChIKey: AILVEIBXPYVNFS-UHFFFAOYSA-N
• XLogP: 40.78
• TPSA: 122.58 Ų
• H-Bond Acceptors: 17
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1997.06
LogP ≤ 5	40.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine?

The IUPAC name of benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine (CID 157125569) is benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine.

What is the SMILES notation for benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine?

The canonical SMILES for benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine is CC.CC.CC.CC.CC.CC.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1cc2sc(C)cc2o1.Cc1cc2sc(C)cc2s1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2cc(C)oc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2ccccc2c1.Cc1ccccn1.Cc1cnc(C)cn1.Cc1sc(C)c2c1OCCO2.c1ccccc1.

What is the InChIKey of benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine?

The InChIKey is AILVEIBXPYVNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C10H10O.C10H10S.C9H8O.C9H8S.C8H10O2S.C8H8OS.C8H8S2.C7H9N.C6H8N2.C6H7N.C6H8O.C6H8S.C6H6.6C2H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-7-3-4-9-6-8(2)11-10(9)5-7;2*1-7-6-8-4-2-3-5-9(8)10-7;1-5-7-8(6(2)11-5)10-4-3-9-7;1-5-3-8-7(9-5)4-6(2)10-8;1-5-3-7-8(9-5)4-6(2)10-7;1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-6-4-2-3-5-7-6;2*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;6*1-2/h2-8H,1H3;2*3-6H,1-2H3;2*2-6H,1H3;3-4H2,1-2H3;2*3-4H,1-2H3;3-5H,1-2H3;3-4H,1-2H3;2-5H,1H3;2*3-4H,1-2H3;1-6H;6*1-2H3.

What are the key properties of benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine?

benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine has a molecular weight of 1997.06 g/mol, XLogP of 40.78, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine is sourced from PubChem (CID 157125569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).