2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene

C172H239F2N13O8 — CID 167599420

About 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene

2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene (PubChem CID 167599420) has the molecular formula C172H239F2N13O8 and a molecular weight of 2654.88 g/mol. Its IUPAC name is 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene.

Molecular Properties

• Compound Name: 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene
• PubChem CID: 167599420
• Molecular Formula: C172H239F2N13O8
• Molecular Weight: 2654.88 g/mol
• Exact Mass: 2652.87
• IUPAC Name: 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene
• SMILES: CC(C)(C)C1CCCN(c2ncccn2)C1.CC(C)(C)C1Cc2ccccc2O1.CC(C)(C)CC1=CCc2ccccc21.CC(C)(C)Cc1ccc(-n2cnnn2)cc1.CC(C)(C)Cc1ccc(F)cc1.CC(COCc1ccccc1)C(C)(C)C.CC(OCc1ccccc1)C(C)(C)C.CC(Oc1ccc(C(C)(C)C)cn1)c1ccccc1.CC(Oc1cccc(C#N)c1)C(C)(C)C.CC(Oc1ccccc1C#N)C(C)(C)C.CC(n1cnc2ccccc21)C(C)(C)C.COc1ccc(CCC(C)(C)C)cc1F.COc1ccc2c(ccn2CC(C)(C)C)c1
• InChI: InChI=1S/C17H21NO.C14H19NO.C14H22O.C14H18.C13H19FO.C13H21N3.C13H18N2.2C13H17NO.C13H20O.C12H16N4.C12H16O.C11H15F/c1-13(14-8-6-5-7-9-14)19-16-11-10-15(12-18-16)17(2,3)4;1-14(2,3)10-15-8-7-11-9-12(16-4)5-6-13(11)15;1-12(14(2,3)4)10-15-11-13-8-6-5-7-9-13;1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)12;1-13(2,3)8-7-10-5-6-12(15-4)11(14)9-10;1-13(2,3)11-6-4-9-16(10-11)12-14-7-5-8-15-12;1-10(13(2,3)4)15-9-14-11-7-5-6-8-12(11)15;1-10(13(2,3)4)15-12-7-5-6-11(8-12)9-14;1-10(13(2,3)4)15-12-8-6-5-7-11(12)9-14;1-11(13(2,3)4)14-10-12-8-6-5-7-9-12;1-12(2,3)8-10-4-6-11(7-5-10)16-9-13-14-15-16;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-9-4-6-10(12)7-5-9/h5-13H,1-4H3;5-9H,10H2,1-4H3;5-9,12H,10-11H2,1-4H3;4-7,9H,8,10H2,1-3H3;5-6,9H,7-8H2,1-4H3;5,7-8,11H,4,6,9-10H2,1-3H3;5-10H,1-4H3;2*5-8,10H,1-4H3;5-9,11H,10H2,1-4H3;4-7,9H,8H2,1-3H3;4-7,11H,8H2,1-3H3;4-7H,8H2,1-3H3
• InChIKey: JNGCHPSZZIHBBM-UHFFFAOYSA-N
• XLogP: 45.44
• TPSA: 229.68 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2654.88
LogP ≤ 5	45.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene?

The IUPAC name of 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene (CID 167599420) is 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene.

What is the SMILES notation for 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene?

The canonical SMILES for 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene is CC(C)(C)C1CCCN(c2ncccn2)C1.CC(C)(C)C1Cc2ccccc2O1.CC(C)(C)CC1=CCc2ccccc21.CC(C)(C)Cc1ccc(-n2cnnn2)cc1.CC(C)(C)Cc1ccc(F)cc1.CC(COCc1ccccc1)C(C)(C)C.CC(OCc1ccccc1)C(C)(C)C.CC(Oc1ccc(C(C)(C)C)cn1)c1ccccc1.CC(Oc1cccc(C#N)c1)C(C)(C)C.CC(Oc1ccccc1C#N)C(C)(C)C.CC(n1cnc2ccccc21)C(C)(C)C.COc1ccc(CCC(C)(C)C)cc1F.COc1ccc2c(ccn2CC(C)(C)C)c1.

What is the InChIKey of 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene?

The InChIKey is JNGCHPSZZIHBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.C14H19NO.C14H22O.C14H18.C13H19FO.C13H21N3.C13H18N2.2C13H17NO.C13H20O.C12H16N4.C12H16O.C11H15F/c1-13(14-8-6-5-7-9-14)19-16-11-10-15(12-18-16)17(2,3)4;1-14(2,3)10-15-8-7-11-9-12(16-4)5-6-13(11)15;1-12(14(2,3)4)10-15-11-13-8-6-5-7-9-13;1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)12;1-13(2,3)8-7-10-5-6-12(15-4)11(14)9-10;1-13(2,3)11-6-4-9-16(10-11)12-14-7-5-8-15-12;1-10(13(2,3)4)15-9-14-11-7-5-6-8-12(11)15;1-10(13(2,3)4)15-12-7-5-6-11(8-12)9-14;1-10(13(2,3)4)15-12-8-6-5-7-11(12)9-14;1-11(13(2,3)4)14-10-12-8-6-5-7-9-12;1-12(2,3)8-10-4-6-11(7-5-10)16-9-13-14-15-16;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-9-4-6-10(12)7-5-9/h5-13H,1-4H3;5-9H,10H2,1-4H3;5-9,12H,10-11H2,1-4H3;4-7,9H,8,10H2,1-3H3;5-6,9H,7-8H2,1-4H3;5,7-8,11H,4,6,9-10H2,1-3H3;5-10H,1-4H3;2*5-8,10H,1-4H3;5-9,11H,10H2,1-4H3;4-7,9H,8H2,1-3H3;4-7,11H,8H2,1-3H3;4-7H,8H2,1-3H3.

What are the key properties of 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene?

2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene has a molecular weight of 2654.88 g/mol, XLogP of 45.44, 25 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene is sourced from PubChem (CID 167599420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).