2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;4-(5-chloropyrimidin-2-yl)morpholine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;1-(furan-2-yl)-5,5-dimethylhexan-1-one

C199H282ClF2N19O10 — CID 157474985

About 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;4-(5-chloropyrimidin-2-yl)morpholine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;1-(furan-2-yl)-5,5-dimethylhexan-1-one

2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;4-(5-chloropyrimidin-2-yl)morpholine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;1-(furan-2-yl)-5,5-dimethylhexan-1-one (PubChem CID 157474985) has the molecular formula C199H282ClF2N19O10 and a molecular weight of 3174.02 g/mol. Its IUPAC name is 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;4-(5-chloropyrimidin-2-yl)morpholine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;1-(furan-2-yl)-5,5-dimethylhexan-1-one.

Molecular Properties

• Compound Name: 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;4-(5-chloropyrimidin-2-yl)morpholine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;1-(furan-2-yl)-5,5-dimethylhexan-1-one
• PubChem CID: 157474985
• Molecular Formula: C199H282ClF2N19O10
• Molecular Weight: 3174.02 g/mol
• Exact Mass: 3171.18
• IUPAC Name: 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;4-(5-chloropyrimidin-2-yl)morpholine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;1-(furan-2-yl)-5,5-dimethylhexan-1-one
• SMILES: CC(C)(C)C1CCCN(c2ncccn2)C1.CC(C)(C)C1Cc2ccccc2O1.CC(C)(C)CC1=CCc2ccccc21.CC(C)(C)CCCC(=O)c1ccco1.CC(C)(C)Cc1ccc(-n2cnnn2)cc1.CC(C)(C)Cc1ccccc1F.CC(C)COC(C)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.CCn1nnc2cc(C(C)(C)C)ccc21.COc1ccc(CCC(C)(C)C)cc1F.COc1ccc2c(ccn2CC(C)(C)C)c1.Cc1ccc(CC(C)(C)C)cc1.Clc1cnc(N2CCOCC2)nc1
• InChI: InChI=1S/C17H21NO.C14H19NO.C14H18.C13H19FO.C13H21N3.C13H18N2.2C13H17NO.C12H16N4.C12H17N3.C12H18O2.C12H16O.C12H18.C11H15F.C10H22O.C8H10ClN3O/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;1-14(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;1-12(2,3)8-10-4-6-11(7-5-10)16-9-13-14-15-16;1-5-15-11-7-6-9(12(2,3)4)8-10(11)13-14-15;1-12(2,3)8-4-6-10(13)11-7-5-9-14-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-10-5-7-11(8-6-10)9-12(2,3)4;1-11(2,3)8-9-6-4-5-7-10(9)12;1-8(2)7-11-9(3)10(4,5)6;9-7-5-10-8(11-6-7)12-1-3-13-4-2-12/h5-13H,1-4H3;5-9H,10H2,1-4H3;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;4-7,9H,8H2,1-3H3;6-8H,5H2,1-4H3;5,7,9H,4,6,8H2,1-3H3;4-7,11H,8H2,1-3H3;5-8H,9H2,1-4H3;4-7H,8H2,1-3H3;8-9H,7H2,1-6H3;5-6H,1-4H2
• InChIKey: BVMDZXDYALLNGU-UHFFFAOYSA-N
• XLogP: 51.99
• TPSA: 319.62 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3174.02
LogP ≤ 5	51.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;4-(5-chloropyrimidin-2-yl)morpholine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;1-(furan-2-yl)-5,5-dimethylhexan-1-one?

The IUPAC name of 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;4-(5-chloropyrimidin-2-yl)morpholine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;1-(furan-2-yl)-5,5-dimethylhexan-1-one (CID 157474985) is 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;4-(5-chloropyrimidin-2-yl)morpholine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;1-(furan-2-yl)-5,5-dimethylhexan-1-one.

What is the SMILES notation for 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;4-(5-chloropyrimidin-2-yl)morpholine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;1-(furan-2-yl)-5,5-dimethylhexan-1-one?

The canonical SMILES for 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;4-(5-chloropyrimidin-2-yl)morpholine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;1-(furan-2-yl)-5,5-dimethylhexan-1-one is CC(C)(C)C1CCCN(c2ncccn2)C1.CC(C)(C)C1Cc2ccccc2O1.CC(C)(C)CC1=CCc2ccccc21.CC(C)(C)CCCC(=O)c1ccco1.CC(C)(C)Cc1ccc(-n2cnnn2)cc1.CC(C)(C)Cc1ccccc1F.CC(C)COC(C)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.CCn1nnc2cc(C(C)(C)C)ccc21.COc1ccc(CCC(C)(C)C)cc1F.COc1ccc2c(ccn2CC(C)(C)C)c1.Cc1ccc(CC(C)(C)C)cc1.Clc1cnc(N2CCOCC2)nc1.

What is the InChIKey of 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;4-(5-chloropyrimidin-2-yl)morpholine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;1-(furan-2-yl)-5,5-dimethylhexan-1-one?

The InChIKey is BVMDZXDYALLNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.C14H19NO.C14H18.C13H19FO.C13H21N3.C13H18N2.2C13H17NO.C12H16N4.C12H17N3.C12H18O2.C12H16O.C12H18.C11H15F.C10H22O.C8H10ClN3O/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;1-14(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;1-12(2,3)8-10-4-6-11(7-5-10)16-9-13-14-15-16;1-5-15-11-7-6-9(12(2,3)4)8-10(11)13-14-15;1-12(2,3)8-4-6-10(13)11-7-5-9-14-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-10-5-7-11(8-6-10)9-12(2,3)4;1-11(2,3)8-9-6-4-5-7-10(9)12;1-8(2)7-11-9(3)10(4,5)6;9-7-5-10-8(11-6-7)12-1-3-13-4-2-12/h5-13H,1-4H3;5-9H,10H2,1-4H3;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;4-7,9H,8H2,1-3H3;6-8H,5H2,1-4H3;5,7,9H,4,6,8H2,1-3H3;4-7,11H,8H2,1-3H3;5-8H,9H2,1-4H3;4-7H,8H2,1-3H3;8-9H,7H2,1-6H3;5-6H,1-4H2.

What are the key properties of 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;4-(5-chloropyrimidin-2-yl)morpholine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;1-(furan-2-yl)-5,5-dimethylhexan-1-one?

2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;4-(5-chloropyrimidin-2-yl)morpholine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;1-(furan-2-yl)-5,5-dimethylhexan-1-one has a molecular weight of 3174.02 g/mol, XLogP of 51.99, 28 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;4-(5-chloropyrimidin-2-yl)morpholine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;1-(furan-2-yl)-5,5-dimethylhexan-1-one is sourced from PubChem (CID 157474985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).