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;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-methylisoquinoline;2-methylnaphthalene;6-methylquinoline

C167H158BrCl12N9O2S5 — CID 161080064

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;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-methylisoquinoline;2-methylnaphthalene;6-methylquinoline

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;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-methylisoquinoline;2-methylnaphthalene;6-methylquinoline (PubChem CID 161080064) has the molecular formula C167H158BrCl12N9O2S5 and a molecular weight of 2988.84 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;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-methylisoquinoline;2-methylnaphthalene;6-methylquinoline.

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;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-methylisoquinoline;2-methylnaphthalene;6-methylquinoline
• PubChem CID: 161080064
• Molecular Formula: C167H158BrCl12N9O2S5
• Molecular Weight: 2988.84 g/mol
• Exact Mass: 2979.66
• 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;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-methylisoquinoline;2-methylnaphthalene;6-methylquinoline
• SMILES: C/C=C/c1ccc(Cl)s1.CCCc1ccc(Cl)s1.COc1ccc(C)cc1Cl.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(Cl)cc2o1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2ccccc2c1.Cc1ccc2cnccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2ncccc2c1.Cc1sc2cc(Cl)ccc2c1C
• InChI: InChI=1S/C11H9Br.C11H11N.C11H10.C10H10ClN.C10H9ClS.2C10H11N.2C10H9N.3C9H8ClN.C9H7ClO.C9H7ClS2.C8H9ClO.C7H6Cl2.C7H9ClS.C7H7ClS/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-6-7(2)12-10-5-8(11)3-4-9(6)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;1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-3-4-8(10-2)7(9)5-6;1-5-2-3-6(8)7(9)4-5;2*1-2-3-6-4-5-7(8)9-6/h2-7H,1H3;3-7H,1-2H3;2-8H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;2*3-6,11H,1-2H3;2*2-7H,1H3;3*2-5,11H,1H3;2-5H,1H3;2-5H,1H3;3-5H,1-2H3;2-4H,1H3;4-5H,2-3H2,1H3;2-5H,1H3/b;;;;;;;;;;;;;;;;;3-2+
• InChIKey: UFUHXHGZMOYMCO-CXDKWVESSA-N
• XLogP: 58.15
• TPSA: 155.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2988.84
LogP ≤ 5	58.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

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;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-methylisoquinoline;2-methylnaphthalene;6-methylquinoline?

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;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-methylisoquinoline;2-methylnaphthalene;6-methylquinoline (CID 161080064) 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;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-methylisoquinoline;2-methylnaphthalene;6-methylquinoline.

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;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-methylisoquinoline;2-methylnaphthalene;6-methylquinoline?

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;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-methylisoquinoline;2-methylnaphthalene;6-methylquinoline is C/C=C/c1ccc(Cl)s1.CCCc1ccc(Cl)s1.COc1ccc(C)cc1Cl.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(Cl)cc2o1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2ccccc2c1.Cc1ccc2cnccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2ncccc2c1.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;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-methylisoquinoline;2-methylnaphthalene;6-methylquinoline?

The InChIKey is UFUHXHGZMOYMCO-CXDKWVESSA-N. The full InChI is InChI=1S/C11H9Br.C11H11N.C11H10.C10H10ClN.C10H9ClS.2C10H11N.2C10H9N.3C9H8ClN.C9H7ClO.C9H7ClS2.C8H9ClO.C7H6Cl2.C7H9ClS.C7H7ClS/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-6-7(2)12-10-5-8(11)3-4-9(6)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;1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-3-4-8(10-2)7(9)5-6;1-5-2-3-6(8)7(9)4-5;2*1-2-3-6-4-5-7(8)9-6/h2-7H,1H3;3-7H,1-2H3;2-8H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;2*3-6,11H,1-2H3;2*2-7H,1H3;3*2-5,11H,1H3;2-5H,1H3;2-5H,1H3;3-5H,1-2H3;2-4H,1H3;4-5H,2-3H2,1H3;2-5H,1H3/b;;;;;;;;;;;;;;;;;3-2+.

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;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-methylisoquinoline;2-methylnaphthalene;6-methylquinoline?

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;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-methylisoquinoline;2-methylnaphthalene;6-methylquinoline has a molecular weight of 2988.84 g/mol, XLogP of 58.15, 5 rotatable bonds, 6 hydrogen bond donors, and 10 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;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;6-methylisoquinoline;2-methylnaphthalene;6-methylquinoline is sourced from PubChem (CID 161080064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).