6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline

C159H198Cl2N6O5S3 — CID 158540100

About 6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline

6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline (PubChem CID 158540100) has the molecular formula C159H198Cl2N6O5S3 and a molecular weight of 2440.48 g/mol. Its IUPAC name is 6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline.

Molecular Properties

• Compound Name: 6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline
• PubChem CID: 158540100
• Molecular Formula: C159H198Cl2N6O5S3
• Molecular Weight: 2440.48 g/mol
• Exact Mass: 2437.40
• IUPAC Name: 6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline
• SMILES: CC(C)(C)Cc1cc2ccccc2s1.CC(C)(C)Cc1ccc(Cl)cn1.CC(C)(C)Cc1ccc2cc[nH]c2c1.CC(C)(C)Cc1ccc2ccccc2n1.CC(C)(C)Cc1ccc2ccoc2c1.CC(C)(C)Cc1ccc2ccsc2c1.CC(C)(C)Cc1ccc2ncccc2c1.CC(C)(C)Cc1coc2ccc(Cl)cc2c1=O.CC(C)(C)Cc1coc2ccccc2c1=O.CC(C)(C)Cc1csc2ccccc12.Cn1cc(CC(C)(C)C)c2ccccc21.Cn1ccc2ccc(CC(C)(C)C)cc21
• InChI: InChI=1S/C14H15ClO2.2C14H19N.2C14H17N.C14H16O2.C13H17N.C13H16O.3C13H16S.C10H14ClN/c1-14(2,3)7-9-8-17-12-5-4-10(15)6-11(12)13(9)16;1-14(2,3)10-11-5-6-12-7-8-15(4)13(12)9-11;1-14(2,3)9-11-10-15(4)13-8-6-5-7-12(11)13;1-14(2,3)10-11-6-7-13-12(9-11)5-4-8-15-13;1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)15-12;1-14(2,3)8-10-9-16-12-7-5-4-6-11(12)13(10)15;3*1-13(2,3)9-10-4-5-11-6-7-14-12(11)8-10;1-13(2,3)8-10-9-14-12-7-5-4-6-11(10)12;1-13(2,3)9-11-8-10-6-4-5-7-12(10)14-11;1-10(2,3)6-9-5-4-8(11)7-12-9/h4-6,8H,7H2,1-3H3;5-9H,10H2,1-4H3;5-8,10H,9H2,1-4H3;2*4-9H,10H2,1-3H3;4-7,9H,8H2,1-3H3;4-8,14H,9H2,1-3H3;2*4-8H,9H2,1-3H3;4-7,9H,8H2,1-3H3;4-8H,9H2,1-3H3;4-5,7H,6H2,1-3H3
• InChIKey: HOKKMOIEPPFWLF-UHFFFAOYSA-N
• XLogP: 47.17
• TPSA: 137.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2440.48
LogP ≤ 5	47.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline?

The IUPAC name of 6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline (CID 158540100) is 6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline.

What is the SMILES notation for 6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline?

The canonical SMILES for 6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline is CC(C)(C)Cc1cc2ccccc2s1.CC(C)(C)Cc1ccc(Cl)cn1.CC(C)(C)Cc1ccc2cc[nH]c2c1.CC(C)(C)Cc1ccc2ccccc2n1.CC(C)(C)Cc1ccc2ccoc2c1.CC(C)(C)Cc1ccc2ccsc2c1.CC(C)(C)Cc1ccc2ncccc2c1.CC(C)(C)Cc1coc2ccc(Cl)cc2c1=O.CC(C)(C)Cc1coc2ccccc2c1=O.CC(C)(C)Cc1csc2ccccc12.Cn1cc(CC(C)(C)C)c2ccccc21.Cn1ccc2ccc(CC(C)(C)C)cc21.

What is the InChIKey of 6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline?

The InChIKey is HOKKMOIEPPFWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2.2C14H19N.2C14H17N.C14H16O2.C13H17N.C13H16O.3C13H16S.C10H14ClN/c1-14(2,3)7-9-8-17-12-5-4-10(15)6-11(12)13(9)16;1-14(2,3)10-11-5-6-12-7-8-15(4)13(12)9-11;1-14(2,3)9-11-10-15(4)13-8-6-5-7-12(11)13;1-14(2,3)10-11-6-7-13-12(9-11)5-4-8-15-13;1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)15-12;1-14(2,3)8-10-9-16-12-7-5-4-6-11(12)13(10)15;3*1-13(2,3)9-10-4-5-11-6-7-14-12(11)8-10;1-13(2,3)8-10-9-14-12-7-5-4-6-11(10)12;1-13(2,3)9-11-8-10-6-4-5-7-12(10)14-11;1-10(2,3)6-9-5-4-8(11)7-12-9/h4-6,8H,7H2,1-3H3;5-9H,10H2,1-4H3;5-8,10H,9H2,1-4H3;2*4-9H,10H2,1-3H3;4-7,9H,8H2,1-3H3;4-8,14H,9H2,1-3H3;2*4-8H,9H2,1-3H3;4-7,9H,8H2,1-3H3;4-8H,9H2,1-3H3;4-5,7H,6H2,1-3H3.

What are the key properties of 6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline?

6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline has a molecular weight of 2440.48 g/mol, XLogP of 47.17, 12 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline is sourced from PubChem (CID 158540100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).