3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,4-dimethyl-1-benzothiophene;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,7-dimethyl-1-benzothiophene);3,4-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;3,7-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;4,6-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;6,7-dimethyl-1-benzothiophene

C200H200O6S14 — CID 157219698

About 3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,4-dimethyl-1-benzothiophene;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,7-dimethyl-1-benzothiophene);3,4-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;3,7-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;4,6-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;6,7-dimethyl-1-benzothiophene

3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,4-dimethyl-1-benzothiophene;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,7-dimethyl-1-benzothiophene);3,4-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;3,7-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;4,6-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;6,7-dimethyl-1-benzothiophene (PubChem CID 157219698) has the molecular formula C200H200O6S14 and a molecular weight of 3148.73 g/mol. Its IUPAC name is 3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,4-dimethyl-1-benzothiophene;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,7-dimethyl-1-benzothiophene);3,4-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;3,7-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;4,6-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;6,7-dimethyl-1-benzothiophene.

Molecular Properties

• Compound Name: 3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,4-dimethyl-1-benzothiophene;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,7-dimethyl-1-benzothiophene);3,4-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;3,7-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;4,6-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;6,7-dimethyl-1-benzothiophene
• PubChem CID: 157219698
• Molecular Formula: C200H200O6S14
• Molecular Weight: 3148.73 g/mol
• Exact Mass: 3145.14
• IUPAC Name: 3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,4-dimethyl-1-benzothiophene;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,7-dimethyl-1-benzothiophene);3,4-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;3,7-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;4,6-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;6,7-dimethyl-1-benzothiophene
• SMILES: Cc1cc(C)c2ccoc2c1.Cc1cc(C)c2ccsc2c1.Cc1cc(C)c2occc2c1.Cc1cc2c(C)cccc2s1.Cc1cc2cccc(C)c2s1.Cc1cc2cccc(C)c2s1.Cc1cc2ccoc2cc1C.Cc1ccc(C)c2occc12.Cc1ccc(C)c2sccc12.Cc1ccc2c(C)csc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2ccsc2c1C.Cc1ccc2occc2c1C.Cc1ccc2sc(C)cc2c1.Cc1ccc2scc(C)c2c1.Cc1ccc2sccc2c1C.Cc1cccc2scc(C)c12.Cc1coc2c(C)cccc12.Cc1csc2c(C)cccc12.Cc1sc2ccccc2c1C
• InChI: InChI=1S/6C10H10O.14C10H10S/c1-7-5-9-3-4-11-10(9)6-8(7)2;1-7-5-8(2)9-3-4-11-10(9)6-7;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;1-7-3-4-8(2)10-9(7)5-6-11-10;1-7-4-3-5-9-8(2)6-11-10(7)9;1-7-5-8(2)9-3-4-11-10(9)6-7;1-7-3-4-10-9(5-7)8(2)6-11-10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-3-4-9-6-8(2)11-10(9)5-7;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;1-7-4-3-5-10-9(7)6-8(2)11-10;1-7-4-3-5-9-10(7)8(2)6-11-9;1-7-4-3-5-9-8(2)6-11-10(7)9;2*1-7-4-3-5-9-6-8(2)11-10(7)9;1-7-8(2)11-10-6-4-3-5-9(7)10/h20*3-6H,1-2H3
• InChIKey: ASVIXYVAUHLPRM-UHFFFAOYSA-N
• XLogP: 67.55
• TPSA: 78.84 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3148.73
LogP ≤ 5	67.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,4-dimethyl-1-benzothiophene;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,7-dimethyl-1-benzothiophene);3,4-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;3,7-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;4,6-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;6,7-dimethyl-1-benzothiophene?

The IUPAC name of 3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,4-dimethyl-1-benzothiophene;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,7-dimethyl-1-benzothiophene);3,4-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;3,7-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;4,6-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;6,7-dimethyl-1-benzothiophene (CID 157219698) is 3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,4-dimethyl-1-benzothiophene;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,7-dimethyl-1-benzothiophene);3,4-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;3,7-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;4,6-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;6,7-dimethyl-1-benzothiophene.

What is the SMILES notation for 3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,4-dimethyl-1-benzothiophene;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,7-dimethyl-1-benzothiophene);3,4-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;3,7-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;4,6-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;6,7-dimethyl-1-benzothiophene?

The canonical SMILES for 3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,4-dimethyl-1-benzothiophene;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,7-dimethyl-1-benzothiophene);3,4-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;3,7-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;4,6-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;6,7-dimethyl-1-benzothiophene is Cc1cc(C)c2ccoc2c1.Cc1cc(C)c2ccsc2c1.Cc1cc(C)c2occc2c1.Cc1cc2c(C)cccc2s1.Cc1cc2cccc(C)c2s1.Cc1cc2cccc(C)c2s1.Cc1cc2ccoc2cc1C.Cc1ccc(C)c2occc12.Cc1ccc(C)c2sccc12.Cc1ccc2c(C)csc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2ccsc2c1C.Cc1ccc2occc2c1C.Cc1ccc2sc(C)cc2c1.Cc1ccc2scc(C)c2c1.Cc1ccc2sccc2c1C.Cc1cccc2scc(C)c12.Cc1coc2c(C)cccc12.Cc1csc2c(C)cccc12.Cc1sc2ccccc2c1C.

What is the InChIKey of 3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,4-dimethyl-1-benzothiophene;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,7-dimethyl-1-benzothiophene);3,4-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;3,7-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;4,6-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;6,7-dimethyl-1-benzothiophene?

The InChIKey is ASVIXYVAUHLPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/6C10H10O.14C10H10S/c1-7-5-9-3-4-11-10(9)6-8(7)2;1-7-5-8(2)9-3-4-11-10(9)6-7;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;1-7-3-4-8(2)10-9(7)5-6-11-10;1-7-4-3-5-9-8(2)6-11-10(7)9;1-7-5-8(2)9-3-4-11-10(9)6-7;1-7-3-4-10-9(5-7)8(2)6-11-10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-3-4-9-6-8(2)11-10(9)5-7;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;1-7-4-3-5-10-9(7)6-8(2)11-10;1-7-4-3-5-9-10(7)8(2)6-11-9;1-7-4-3-5-9-8(2)6-11-10(7)9;2*1-7-4-3-5-9-6-8(2)11-10(7)9;1-7-8(2)11-10-6-4-3-5-9(7)10/h20*3-6H,1-2H3.

What are the key properties of 3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,4-dimethyl-1-benzothiophene;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,7-dimethyl-1-benzothiophene);3,4-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;3,7-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;4,6-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;6,7-dimethyl-1-benzothiophene?

3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,4-dimethyl-1-benzothiophene;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,7-dimethyl-1-benzothiophene);3,4-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;3,7-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;4,6-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;6,7-dimethyl-1-benzothiophene has a molecular weight of 3148.73 g/mol, XLogP of 67.55, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,4-dimethyl-1-benzothiophene;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,7-dimethyl-1-benzothiophene);3,4-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;3,7-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;4,6-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;6,7-dimethyl-1-benzothiophene is sourced from PubChem (CID 157219698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).