2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene

C129H156N6O3S3 — CID 157173412

About 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene

2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene (PubChem CID 157173412) has the molecular formula C129H156N6O3S3 and a molecular weight of 1934.91 g/mol. Its IUPAC name is 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene.

Molecular Properties

• Compound Name: 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene
• PubChem CID: 157173412
• Molecular Formula: C129H156N6O3S3
• Molecular Weight: 1934.91 g/mol
• Exact Mass: 1933.14
• IUPAC Name: 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene
• SMILES: Cc1c(C)n(C)c2ccccc12.Cc1cc2ccccc2c(C)c1C.Cc1cc2ccccc2cc1C.Cc1ccccc1-c1ccccc1C.Cc1ccccc1C.Cc1cccnc1C.Cc1ccn(C)c1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cn(C)cc1C.Cc1cn(C)nc1C.Cc1cocc1C.Cc1cscc1C.Cc1oc2ccccc2c1C.Cc1sc2ccccc2c1C
• InChI: InChI=1S/C14H14.C13H14.C12H12.C11H13N.C10H10O.C10H10S.C8H10.2C7H11N.C7H9N.C6H10N2.2C6H8O.2C6H8S/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-9-8-12-6-4-5-7-13(12)11(3)10(9)2;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-8-9(2)12(3)11-7-5-4-6-10(8)11;2*1-7-8(2)11-10-6-4-3-5-9(7)10;1-7-5-3-4-6-8(7)2;1-6-4-8(3)5-7(6)2;1-6-4-5-8(3)7(6)2;1-6-4-3-5-8-7(6)2;1-5-4-8(3)7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2/h3-10H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3;4H,1-3H3;4*3-4H,1-2H3
• InChIKey: ANSRYYQTKUVXPV-UHFFFAOYSA-N
• XLogP: 37.40
• TPSA: 84.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 1
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1934.91
LogP ≤ 5	37.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene?

The IUPAC name of 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene (CID 157173412) is 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene.

What is the SMILES notation for 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene?

The canonical SMILES for 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene is Cc1c(C)n(C)c2ccccc12.Cc1cc2ccccc2c(C)c1C.Cc1cc2ccccc2cc1C.Cc1ccccc1-c1ccccc1C.Cc1ccccc1C.Cc1cccnc1C.Cc1ccn(C)c1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cn(C)cc1C.Cc1cn(C)nc1C.Cc1cocc1C.Cc1cscc1C.Cc1oc2ccccc2c1C.Cc1sc2ccccc2c1C.

What is the InChIKey of 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene?

The InChIKey is ANSRYYQTKUVXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C13H14.C12H12.C11H13N.C10H10O.C10H10S.C8H10.2C7H11N.C7H9N.C6H10N2.2C6H8O.2C6H8S/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-9-8-12-6-4-5-7-13(12)11(3)10(9)2;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-8-9(2)12(3)11-7-5-4-6-10(8)11;2*1-7-8(2)11-10-6-4-3-5-9(7)10;1-7-5-3-4-6-8(7)2;1-6-4-8(3)5-7(6)2;1-6-4-5-8(3)7(6)2;1-6-4-3-5-8-7(6)2;1-5-4-8(3)7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2/h3-10H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3;4H,1-3H3;4*3-4H,1-2H3.

What are the key properties of 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene?

2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene has a molecular weight of 1934.91 g/mol, XLogP of 37.40, 1 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene is sourced from PubChem (CID 157173412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).