2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;4-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;2-chloro-4-methylphenol;2-chloro-5-methylphenol;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;3-methyl-5-(5-methylthiophen-2-yl)pyridin-2-amine;bis(2-methylnaphthalene);bis(5-(3-methylphenyl)-2H-tetrazole);6-methylquinoline

C202H183Br2Cl10F2N13O6S5 — CID 161499457

About 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;4-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;2-chloro-4-methylphenol;2-chloro-5-methylphenol;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;3-methyl-5-(5-methylthiophen-2-yl)pyridin-2-amine;bis(2-methylnaphthalene);bis(5-(3-methylphenyl)-2H-tetrazole);6-methylquinoline

2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;4-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;2-chloro-4-methylphenol;2-chloro-5-methylphenol;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;3-methyl-5-(5-methylthiophen-2-yl)pyridin-2-amine;bis(2-methylnaphthalene);bis(5-(3-methylphenyl)-2H-tetrazole);6-methylquinoline (PubChem CID 161499457) has the molecular formula C202H183Br2Cl10F2N13O6S5 and a molecular weight of 3601.44 g/mol. Its IUPAC name is 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;4-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;2-chloro-4-methylphenol;2-chloro-5-methylphenol;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;3-methyl-5-(5-methylthiophen-2-yl)pyridin-2-amine;bis(2-methylnaphthalene);bis(5-(3-methylphenyl)-2H-tetrazole);6-methylquinoline.

Molecular Properties

• Compound Name: 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;4-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;2-chloro-4-methylphenol;2-chloro-5-methylphenol;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;3-methyl-5-(5-methylthiophen-2-yl)pyridin-2-amine;bis(2-methylnaphthalene);bis(5-(3-methylphenyl)-2H-tetrazole);6-methylquinoline
• PubChem CID: 161499457
• Molecular Formula: C202H183Br2Cl10F2N13O6S5
• Molecular Weight: 3601.44 g/mol
• Exact Mass: 3591.82
• IUPAC Name: 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;4-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;2-chloro-4-methylphenol;2-chloro-5-methylphenol;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;3-methyl-5-(5-methylthiophen-2-yl)pyridin-2-amine;bis(2-methylnaphthalene);bis(5-(3-methylphenyl)-2H-tetrazole);6-methylquinoline
• SMILES: COc1ccc(C)cc1Cl.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc2c(Cl)cccc2o1.Cc1cc2c(Cl)cccc2s1.Cc1cc2ccc(Cl)cc2o1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(-c2cnc(N)c(C)c2)s1.Cc1ccc(Cl)c(O)c1.Cc1ccc(O)c(Cl)c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(F)ccc2c1.Cc1ccc2ccc(Br)cc2c1.Cc1ccc2ccc(F)cc2c1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2ncccc2c1.Cc1cccc(-c2nn[nH]n2)c1.Cc1cccc(-c2nn[nH]n2)c1.Cc1oc2cc(Cl)ccc2c1C.Cc1sc2cc(Cl)ccc2c1C
• InChI: InChI=1S/2C11H9Br.2C11H9F.C11H12N2S.C11H11N.2C11H10.C10H10ClN.C10H9ClO.C10H9ClS.C10H9N.2C9H7ClO.C9H7ClS2.C9H7ClS.C8H9ClO.2C8H8N4.2C7H7ClO/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-7-5-9(6-13-11(7)12)10-4-3-8(2)14-10;1-8-3-6-11-10(7-8)5-4-9(2)12-11;2*1-9-6-7-10-4-2-3-5-11(10)8-9;3*1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-8-4-5-10-9(7-8)3-2-6-11-10;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-5-7-8(10)3-2-4-9(7)11-6;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-5-7-8(10)3-2-4-9(7)11-6;1-6-3-4-8(10-2)7(9)5-6;2*1-6-3-2-4-7(5-6)8-9-11-12-10-8;1-5-2-3-7(9)6(8)4-5;1-5-2-3-6(8)7(9)4-5/h4*2-7H,1H3;3-6H,1-2H3,(H2,12,13);3-7H,1-2H3;2*2-8H,1H3;3-5,12H,1-2H3;2*3-5H,1-2H3;2-7H,1H3;2*2-5H,1H3;2-5H,1H3;2-5H,1H3;3-5H,1-2H3;2*2-5H,1H3,(H,9,10,11,12);2*2-4,9H,1H3
• InChIKey: WGQKHGKDLYEGAN-UHFFFAOYSA-N
• XLogP: 65.22
• TPSA: 278.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 5
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3601.44
LogP ≤ 5	65.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

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;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;4-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;2-chloro-4-methylphenol;2-chloro-5-methylphenol;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;3-methyl-5-(5-methylthiophen-2-yl)pyridin-2-amine;bis(2-methylnaphthalene);bis(5-(3-methylphenyl)-2H-tetrazole);6-methylquinoline?

The IUPAC name of 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;4-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;2-chloro-4-methylphenol;2-chloro-5-methylphenol;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;3-methyl-5-(5-methylthiophen-2-yl)pyridin-2-amine;bis(2-methylnaphthalene);bis(5-(3-methylphenyl)-2H-tetrazole);6-methylquinoline (CID 161499457) is 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;4-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;2-chloro-4-methylphenol;2-chloro-5-methylphenol;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;3-methyl-5-(5-methylthiophen-2-yl)pyridin-2-amine;bis(2-methylnaphthalene);bis(5-(3-methylphenyl)-2H-tetrazole);6-methylquinoline.

What is the SMILES notation for 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;4-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;2-chloro-4-methylphenol;2-chloro-5-methylphenol;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;3-methyl-5-(5-methylthiophen-2-yl)pyridin-2-amine;bis(2-methylnaphthalene);bis(5-(3-methylphenyl)-2H-tetrazole);6-methylquinoline?

The canonical SMILES for 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;4-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;2-chloro-4-methylphenol;2-chloro-5-methylphenol;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;3-methyl-5-(5-methylthiophen-2-yl)pyridin-2-amine;bis(2-methylnaphthalene);bis(5-(3-methylphenyl)-2H-tetrazole);6-methylquinoline is COc1ccc(C)cc1Cl.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc2c(Cl)cccc2o1.Cc1cc2c(Cl)cccc2s1.Cc1cc2ccc(Cl)cc2o1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(-c2cnc(N)c(C)c2)s1.Cc1ccc(Cl)c(O)c1.Cc1ccc(O)c(Cl)c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(F)ccc2c1.Cc1ccc2ccc(Br)cc2c1.Cc1ccc2ccc(F)cc2c1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2ncccc2c1.Cc1cccc(-c2nn[nH]n2)c1.Cc1cccc(-c2nn[nH]n2)c1.Cc1oc2cc(Cl)ccc2c1C.Cc1sc2cc(Cl)ccc2c1C.

What is the InChIKey of 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;4-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;2-chloro-4-methylphenol;2-chloro-5-methylphenol;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;3-methyl-5-(5-methylthiophen-2-yl)pyridin-2-amine;bis(2-methylnaphthalene);bis(5-(3-methylphenyl)-2H-tetrazole);6-methylquinoline?

The InChIKey is WGQKHGKDLYEGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H9Br.2C11H9F.C11H12N2S.C11H11N.2C11H10.C10H10ClN.C10H9ClO.C10H9ClS.C10H9N.2C9H7ClO.C9H7ClS2.C9H7ClS.C8H9ClO.2C8H8N4.2C7H7ClO/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-7-5-9(6-13-11(7)12)10-4-3-8(2)14-10;1-8-3-6-11-10(7-8)5-4-9(2)12-11;2*1-9-6-7-10-4-2-3-5-11(10)8-9;3*1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-8-4-5-10-9(7-8)3-2-6-11-10;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-5-7-8(10)3-2-4-9(7)11-6;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-5-7-8(10)3-2-4-9(7)11-6;1-6-3-4-8(10-2)7(9)5-6;2*1-6-3-2-4-7(5-6)8-9-11-12-10-8;1-5-2-3-7(9)6(8)4-5;1-5-2-3-6(8)7(9)4-5/h4*2-7H,1H3;3-6H,1-2H3,(H2,12,13);3-7H,1-2H3;2*2-8H,1H3;3-5,12H,1-2H3;2*3-5H,1-2H3;2-7H,1H3;2*2-5H,1H3;2-5H,1H3;2-5H,1H3;3-5H,1-2H3;2*2-5H,1H3,(H,9,10,11,12);2*2-4,9H,1H3.

What are the key properties of 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;4-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;2-chloro-4-methylphenol;2-chloro-5-methylphenol;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;3-methyl-5-(5-methylthiophen-2-yl)pyridin-2-amine;bis(2-methylnaphthalene);bis(5-(3-methylphenyl)-2H-tetrazole);6-methylquinoline?

2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;4-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;2-chloro-4-methylphenol;2-chloro-5-methylphenol;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;3-methyl-5-(5-methylthiophen-2-yl)pyridin-2-amine;bis(2-methylnaphthalene);bis(5-(3-methylphenyl)-2H-tetrazole);6-methylquinoline has a molecular weight of 3601.44 g/mol, XLogP of 65.22, 5 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzofuran;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;4-chloro-2-methyl-1-benzofuran;6-chloro-2-methyl-1-benzofuran;4-chloro-2-methyl-1-benzothiophene;2-chloro-4-methylphenol;2-chloro-5-methylphenol;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,6-dimethylquinoline;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;3-methyl-5-(5-methylthiophen-2-yl)pyridin-2-amine;bis(2-methylnaphthalene);bis(5-(3-methylphenyl)-2H-tetrazole);6-methylquinoline is sourced from PubChem (CID 161499457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).