2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;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-trimethylpyrrole;bis(1,3,4-trimethylpyrrole);1,2-xylene — IUPAC name, SMILES, InChIKey & properties

Name: 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;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-trimethylpyrrole;bis(1,3,4-trimethylpyrrole);1,2-xylene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;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-trimethylpyrrole;bis(1,3,4-trimethylpyrrole);1,2-xylene

2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;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-trimethylpyrrole;bis(1,3,4-trimethylpyrrole);1,2-xylene (PubChem CID 159228473) has the molecular formula C129H155N5O3S3 and a molecular weight of 1919.89 g/mol. Its IUPAC name is 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;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-trimethylpyrrole;bis(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;1,2-dimethylnaphthalene;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-trimethylpyrrole;bis(1,3,4-trimethylpyrrole);1,2-xylene
PubChem CID	159228473
Molecular Formula	C129H155N5O3S3
Molecular Weight	1919.89 g/mol
Exact Mass	1918.13
IUPAC Name	2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;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-trimethylpyrrole;bis(1,3,4-trimethylpyrrole);1,2-xylene
SMILES	Cc1c(C)n(C)c2ccccc12.Cc1cc2ccccc2cc1C.Cc1ccc2ccccc2c1C.Cc1ccccc1-c1ccccc1C.Cc1ccccc1C.Cc1cccnc1C.Cc1ccn(C)c1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cn(C)cc1C.Cc1cn(C)cc1C.Cc1cocc1C.Cc1cscc1C.Cc1oc2ccccc2c1C.Cc1sc2ccccc2c1C
InChI	InChI=1S/C14H14.2C12H12.C11H13N.C10H10O.C10H10S.C8H10.3C7H11N.C7H9N.2C6H8O.2C6H8S/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-9-7-8-11-5-3-4-6-12(11)10(9)2;1-8-9(2)12(3)11-7-5-4-6-10(8)11;21-7-8(2)11-10-6-4-3-5-9(7)10;1-7-5-3-4-6-8(7)2;21-6-4-8(3)5-7(6)2;1-6-4-5-8(3)7(6)2;1-6-4-3-5-8-7(6)2;1-5-3-7-4-6(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;23-8H,1-2H3;4-7H,1-3H3;23-6H,1-2H3;3-6H,1-2H3;34-5H,1-3H3;3-5H,1-2H3;43-4H,1-2H3
InChIKey	KSOYRNGVSZYXKF-UHFFFAOYSA-N
XLogP	37.70
TPSA	72.03 Å²
H-Bond Donors
H-Bond Acceptors	11
Rotatable Bonds	1
Heavy Atoms	140
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1919.89
LogP ≤ 5	37.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;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-trimethylpyrrole;bis(1,3,4-trimethylpyrrole);1,2-xylene with MolForge

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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;1,2-dimethylnaphthalene;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-trimethylpyrrole;bis(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;1,2-dimethylnaphthalene;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-trimethylpyrrole;bis(1,3,4-trimethylpyrrole);1,2-xylene (CID 159228473) is 2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;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-trimethylpyrrole;bis(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;1,2-dimethylnaphthalene;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-trimethylpyrrole;bis(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;1,2-dimethylnaphthalene;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-trimethylpyrrole;bis(1,3,4-trimethylpyrrole);1,2-xylene is Cc1c(C)n(C)c2ccccc12.Cc1cc2ccccc2cc1C.Cc1ccc2ccccc2c1C.Cc1ccccc1-c1ccccc1C.Cc1ccccc1C.Cc1cccnc1C.Cc1ccn(C)c1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cn(C)cc1C.Cc1cn(C)cc1C.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;1,2-dimethylnaphthalene;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-trimethylpyrrole;bis(1,3,4-trimethylpyrrole);1,2-xylene?

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

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;1,2-dimethylnaphthalene;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-trimethylpyrrole;bis(1,3,4-trimethylpyrrole);1,2-xylene is sourced from PubChem (CID 159228473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).