2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole

C82H75BrCl8N4O3S2 — CID 157331959

About 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole

2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole (PubChem CID 157331959) has the molecular formula C82H75BrCl8N4O3S2 and a molecular weight of 1592.19 g/mol. Its IUPAC name is 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole
• PubChem CID: 157331959
• Molecular Formula: C82H75BrCl8N4O3S2
• Molecular Weight: 1592.19 g/mol
• Exact Mass: 1586.20
• IUPAC Name: 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole
• SMILES: COc1ccc(C)cc1Cl.COc1ccc2sc(C)nc2c1.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(Cl)cc2o1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc2cc(Br)ccc2c1.Cc1sc2cc(Cl)ccc2c1C
• InChI: InChI=1S/C11H9Br.C10H10ClN.C10H9ClS.2C9H8ClN.C9H7ClO.C9H9NOS.C8H9ClO.C7H6Cl2/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;2*1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-6-3-4-8(10-2)7(9)5-6;1-5-2-3-6(8)7(9)4-5/h2-7H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;2*2-5,11H,1H3;2-5H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-4H,1H3
• InChIKey: BFJWKTSLHKKBSR-UHFFFAOYSA-N
• XLogP: 29.75
• TPSA: 91.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1592.19
LogP ≤ 5	29.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole?

The IUPAC name of 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole (CID 157331959) is 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole.

What is the SMILES notation for 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole?

The canonical SMILES for 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole is COc1ccc(C)cc1Cl.COc1ccc2sc(C)nc2c1.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(Cl)cc2o1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc2cc(Br)ccc2c1.Cc1sc2cc(Cl)ccc2c1C.

What is the InChIKey of 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole?

The InChIKey is BFJWKTSLHKKBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br.C10H10ClN.C10H9ClS.2C9H8ClN.C9H7ClO.C9H9NOS.C8H9ClO.C7H6Cl2/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;2*1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-6-3-4-8(10-2)7(9)5-6;1-5-2-3-6(8)7(9)4-5/h2-7H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;2*2-5,11H,1H3;2-5H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-4H,1H3.

What are the key properties of 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole?

2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole has a molecular weight of 1592.19 g/mol, XLogP of 29.75, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 157331959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).