2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-[1-(3-methyl-2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol

C167H251F4N15O4 — CID 158314335

About 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-[1-(3-methyl-2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol

2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-[1-(3-methyl-2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol (PubChem CID 158314335) has the molecular formula C167H251F4N15O4 and a molecular weight of 2608.94 g/mol. Its IUPAC name is 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-[1-(3-methyl-2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol.

Molecular Properties

• Compound Name: 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-[1-(3-methyl-2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol
• PubChem CID: 158314335
• Molecular Formula: C167H251F4N15O4
• Molecular Weight: 2608.94 g/mol
• Exact Mass: 2606.98
• IUPAC Name: 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-[1-(3-methyl-2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol
• SMILES: C#CC(C)c1cc(C)ccc1C(C)C.CC(C)Cc1ccco1.CC(C)c1cc[nH]c1C(C)C.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(C)O)c1C(C)C.CC(C)c1ccccc1C(C)O.CC(C)c1ccccc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nc[nH]c1C(C)C.CCc1c[nH]c(CC)c1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1.Cc1cccc(C(C)c2cnco2)c1C(C)C
• InChI: InChI=1S/C15H19NO.C14H22O.C14H18.C13H17F2N.C13H20.C12H16F2N2.C11H19N.C11H16O.C10H17N.C10H11N.4C9H16N2.C8H12O/c1-10(2)15-11(3)6-5-7-13(15)12(4)14-8-16-9-17-14;1-9(2)12-7-6-8-13(11(5)15)14(12)10(3)4;1-6-12(5)14-9-11(4)7-8-13(14)10(2)3;1-10(2)11-5-3-4-6-12(11)16-8-7-13(14,15)9-16;1-9(2)12-7-6-11(5)8-13(12)10(3)4;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-5-9-7-12-10(6-2)11(9)8(3)4;1-8(2)10-6-4-5-7-11(10)9(3)12;1-7(2)9-5-6-11-10(9)8(3)4;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-7(2)6-8-4-3-5-9-8/h5-10,12H,1-4H3;6-11,15H,1-5H3;1,7-10,12H,2-5H3;3-6,10H,7-9H2,1-2H3;6-10H,1-5H3;3-4,6,9H,5,7-8H2,1-2H3;7-8,12H,5-6H2,1-4H3;4-9,12H,1-3H3;5-8,11H,1-4H3;3-6,8H,1-2H3;3*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);3-5,7H,6H2,1-2H3
• InChIKey: GOBOEMZKPYZVCV-UHFFFAOYSA-N
• XLogP: 48.01
• TPSA: 236.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 32
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2608.94
LogP ≤ 5	48.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-[1-(3-methyl-2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol?

The IUPAC name of 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-[1-(3-methyl-2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol (CID 158314335) is 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-[1-(3-methyl-2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol.

What is the SMILES notation for 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-[1-(3-methyl-2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol?

The canonical SMILES for 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-[1-(3-methyl-2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol is C#CC(C)c1cc(C)ccc1C(C)C.CC(C)Cc1ccco1.CC(C)c1cc[nH]c1C(C)C.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(C)O)c1C(C)C.CC(C)c1ccccc1C(C)O.CC(C)c1ccccc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nc[nH]c1C(C)C.CCc1c[nH]c(CC)c1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1.Cc1cccc(C(C)c2cnco2)c1C(C)C.

What is the InChIKey of 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-[1-(3-methyl-2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol?

The InChIKey is GOBOEMZKPYZVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.C14H22O.C14H18.C13H17F2N.C13H20.C12H16F2N2.C11H19N.C11H16O.C10H17N.C10H11N.4C9H16N2.C8H12O/c1-10(2)15-11(3)6-5-7-13(15)12(4)14-8-16-9-17-14;1-9(2)12-7-6-8-13(11(5)15)14(12)10(3)4;1-6-12(5)14-9-11(4)7-8-13(14)10(2)3;1-10(2)11-5-3-4-6-12(11)16-8-7-13(14,15)9-16;1-9(2)12-7-6-11(5)8-13(12)10(3)4;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-5-9-7-12-10(6-2)11(9)8(3)4;1-8(2)10-6-4-5-7-11(10)9(3)12;1-7(2)9-5-6-11-10(9)8(3)4;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-7(2)6-8-4-3-5-9-8/h5-10,12H,1-4H3;6-11,15H,1-5H3;1,7-10,12H,2-5H3;3-6,10H,7-9H2,1-2H3;6-10H,1-5H3;3-4,6,9H,5,7-8H2,1-2H3;7-8,12H,5-6H2,1-4H3;4-9,12H,1-3H3;5-8,11H,1-4H3;3-6,8H,1-2H3;3*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);3-5,7H,6H2,1-2H3.

What are the key properties of 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-[1-(3-methyl-2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol?

2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-[1-(3-methyl-2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol has a molecular weight of 2608.94 g/mol, XLogP of 48.01, 32 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-[1-(3-methyl-2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 158314335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).