1-methyl-6-propan-2-yl-2,3-dihydroindole;1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;2-phenyl-6-propan-2-ylchromen-4-one;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C128H158N8O6S2 — CID 158096103

About 1-methyl-6-propan-2-yl-2,3-dihydroindole;1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;2-phenyl-6-propan-2-ylchromen-4-one;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene

1-methyl-6-propan-2-yl-2,3-dihydroindole;1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;2-phenyl-6-propan-2-ylchromen-4-one;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 158096103) has the molecular formula C128H158N8O6S2 and a molecular weight of 1968.86 g/mol. Its IUPAC name is 1-methyl-6-propan-2-yl-2,3-dihydroindole;1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;2-phenyl-6-propan-2-ylchromen-4-one;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 1-methyl-6-propan-2-yl-2,3-dihydroindole;1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;2-phenyl-6-propan-2-ylchromen-4-one;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
• PubChem CID: 158096103
• Molecular Formula: C128H158N8O6S2
• Molecular Weight: 1968.86 g/mol
• Exact Mass: 1967.17
• IUPAC Name: 1-methyl-6-propan-2-yl-2,3-dihydroindole;1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;2-phenyl-6-propan-2-ylchromen-4-one;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
• SMILES: CC(C)c1ccc2c(c1)N(C)CC2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2oc(-c3ccccc3)cc(=O)c2c1.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2ncccc12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsc1
• InChI: InChI=1S/C18H16O2.C12H17N.2C12H15N.C12H13N.C11H14N2.C11H14O2.C10H12O2.2C8H11N.2C7H10S/c1-12(2)14-8-9-17-15(10-14)16(19)11-18(20-17)13-6-4-3-5-7-13;2*1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3-12H,1-2H3;4-5,8-9H,6-7H2,1-3H3;2*4-9H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3
• InChIKey: FORLHZHCQVLVFB-UHFFFAOYSA-N
• XLogP: 35.32
• TPSA: 136.72 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1968.86
LogP ≤ 5	35.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propan-2-yl-2,3-dihydroindole;1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;2-phenyl-6-propan-2-ylchromen-4-one;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The IUPAC name of 1-methyl-6-propan-2-yl-2,3-dihydroindole;1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;2-phenyl-6-propan-2-ylchromen-4-one;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 158096103) is 1-methyl-6-propan-2-yl-2,3-dihydroindole;1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;2-phenyl-6-propan-2-ylchromen-4-one;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

What is the SMILES notation for 1-methyl-6-propan-2-yl-2,3-dihydroindole;1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;2-phenyl-6-propan-2-ylchromen-4-one;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The canonical SMILES for 1-methyl-6-propan-2-yl-2,3-dihydroindole;1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;2-phenyl-6-propan-2-ylchromen-4-one;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)c1ccc2c(c1)N(C)CC2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2oc(-c3ccccc3)cc(=O)c2c1.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2ncccc12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsc1.

What is the InChIKey of 1-methyl-6-propan-2-yl-2,3-dihydroindole;1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;2-phenyl-6-propan-2-ylchromen-4-one;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The InChIKey is FORLHZHCQVLVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2.C12H17N.2C12H15N.C12H13N.C11H14N2.C11H14O2.C10H12O2.2C8H11N.2C7H10S/c1-12(2)14-8-9-17-15(10-14)16(19)11-18(20-17)13-6-4-3-5-7-13;2*1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3-12H,1-2H3;4-5,8-9H,6-7H2,1-3H3;2*4-9H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3.

What are the key properties of 1-methyl-6-propan-2-yl-2,3-dihydroindole;1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;2-phenyl-6-propan-2-ylchromen-4-one;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

1-methyl-6-propan-2-yl-2,3-dihydroindole;1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;2-phenyl-6-propan-2-ylchromen-4-one;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 1968.86 g/mol, XLogP of 35.32, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-6-propan-2-yl-2,3-dihydroindole;1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;2-phenyl-6-propan-2-ylchromen-4-one;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 158096103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).