1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene

C118H169F2NO6S2 — CID 161225427

About 1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene

1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene (PubChem CID 161225427) has the molecular formula C118H169F2NO6S2 and a molecular weight of 1799.78 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene
• PubChem CID: 161225427
• Molecular Formula: C118H169F2NO6S2
• Molecular Weight: 1799.78 g/mol
• Exact Mass: 1798.24
• IUPAC Name: 1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene
• SMILES: CC(C)c1cccc(OC(F)F)c1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)cs1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1csc(C(C)C)n1
• InChI: InChI=1S/C11H16.C10H12F2O.C10H14O.4C10H14.4C8H12O.C8H12S.C7H11NS/c1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)8-4-3-5-9(6-8)13-10(11)12;1-8(2)9-5-4-6-10(7-9)11-3;4*1-8(2)10-6-4-5-9(3)7-10;4*1-6(2)8-5-4-7(3)9-8;1-6(2)8-4-7(3)9-5-8;1-5(2)7-8-6(3)4-9-7/h5-8H,1-4H3;3-7,10H,1-2H3;4-8H,1-3H3;4*4-8H,1-3H3;5*4-6H,1-3H3;4-5H,1-3H3
• InChIKey: UYBAYXMEMJNXPX-UHFFFAOYSA-N
• XLogP: 38.73
• TPSA: 83.91 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1799.78
LogP ≤ 5	38.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene?

The IUPAC name of 1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene (CID 161225427) is 1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene.

What is the SMILES notation for 1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene?

The canonical SMILES for 1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene is CC(C)c1cccc(OC(F)F)c1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)cs1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1csc(C(C)C)n1.

What is the InChIKey of 1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene?

The InChIKey is UYBAYXMEMJNXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C10H12F2O.C10H14O.4C10H14.4C8H12O.C8H12S.C7H11NS/c1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)8-4-3-5-9(6-8)13-10(11)12;1-8(2)9-5-4-6-10(7-9)11-3;4*1-8(2)10-6-4-5-9(3)7-10;4*1-6(2)8-5-4-7(3)9-8;1-6(2)8-4-7(3)9-5-8;1-5(2)7-8-6(3)4-9-7/h5-8H,1-4H3;3-7,10H,1-2H3;4-8H,1-3H3;4*4-8H,1-3H3;5*4-6H,1-3H3;4-5H,1-3H3.

What are the key properties of 1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene?

1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene has a molecular weight of 1799.78 g/mol, XLogP of 38.73, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene is sourced from PubChem (CID 161225427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).