1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;5-chloro-2-propan-2-yl-4-propoxypyridine;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene

C195H299Cl2F3N10O16 — CID 157396914

About 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;5-chloro-2-propan-2-yl-4-propoxypyridine;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene

1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;5-chloro-2-propan-2-yl-4-propoxypyridine;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene (PubChem CID 157396914) has the molecular formula C195H299Cl2F3N10O16 and a molecular weight of 3167.49 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;5-chloro-2-propan-2-yl-4-propoxypyridine;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene.

Molecular Properties

• Compound Name: 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;5-chloro-2-propan-2-yl-4-propoxypyridine;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene
• PubChem CID: 157396914
• Molecular Formula: C195H299Cl2F3N10O16
• Molecular Weight: 3167.49 g/mol
• Exact Mass: 3164.22
• IUPAC Name: 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;5-chloro-2-propan-2-yl-4-propoxypyridine;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene
• SMILES: CC(C)(C)COc1ccn(C(C)(C)C)n1.CC(C)CC(C)Oc1cccc(C(C)C)n1.CC(C)COc1ccc(C(C)C)cn1.CC(C)COc1ccc(F)c(C(C)C)c1.CC(C)COc1cccc(C(C)C)c1.CC(C)COc1cccc(C(C)C)n1.CC(C)COc1ccnc(C(C)C)c1.CC(C)Oc1cc(C(C)C)ccc1Cl.CC(C)Oc1cc(F)cc(C(C)C)c1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(F)c2c1OCO2.CC(C)c1ccc(OCC(C)(C)C)nc1.CC(C)c1cccc(OC(C)C(C)C)n1.CC(C)c1cccc(OCC(C)(C)C)n1.CCCOc1cc(C(C)C)ncc1Cl.Cc1ccc(C(C)C)c(C)c1
• InChI: InChI=1S/C14H23NO.C13H19FO.3C13H21NO.C13H20O.C12H17ClO.C12H17FO.C12H22N2O.3C12H19NO.C12H18O.C11H16ClNO.C11H16.C10H11FO2/c1-10(2)9-12(5)16-14-8-6-7-13(15-14)11(3)4;1-9(2)8-15-11-5-6-13(14)12(7-11)10(3)4;1-10(2)11-6-7-12(14-8-11)15-9-13(3,4)5;1-10(2)11-7-6-8-12(14-11)15-9-13(3,4)5;1-9(2)11(5)15-13-8-6-7-12(14-13)10(3)4;1-10(2)9-14-13-7-5-6-12(8-13)11(3)4;1-8(2)10-5-6-11(13)12(7-10)14-9(3)4;1-8(2)10-5-11(13)7-12(6-10)14-9(3)4;1-11(2,3)9-15-10-7-8-14(13-10)12(4,5)6;1-9(2)8-14-11-5-6-13-12(7-11)10(3)4;1-9(2)8-14-12-6-5-11(7-13-12)10(3)4;1-9(2)8-14-12-7-5-6-11(13-12)10(3)4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-4-5-14-11-6-10(8(2)3)13-7-9(11)12;1-8(2)11-6-5-9(3)7-10(11)4;1-6(2)7-3-4-8(11)10-9(7)12-5-13-10/h6-8,10-12H,9H2,1-5H3;5-7,9-10H,8H2,1-4H3;2*6-8,10H,9H2,1-5H3;6-11H,1-5H3;5-8,10-11H,9H2,1-4H3;2*5-9H,1-4H3;7-8H,9H2,1-6H3;3*5-7,9-10H,8H2,1-4H3;5-10H,1-4H3;6-8H,4-5H2,1-3H3;5-8H,1-4H3;3-4,6H,5H2,1-2H3
• InChIKey: BMRHVGKXQBIBFX-UHFFFAOYSA-N
• XLogP: 56.85
• TPSA: 268.62 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 52
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3167.49
LogP ≤ 5	56.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;5-chloro-2-propan-2-yl-4-propoxypyridine;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene?

The IUPAC name of 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;5-chloro-2-propan-2-yl-4-propoxypyridine;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene (CID 157396914) is 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;5-chloro-2-propan-2-yl-4-propoxypyridine;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene.

What is the SMILES notation for 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;5-chloro-2-propan-2-yl-4-propoxypyridine;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene?

The canonical SMILES for 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;5-chloro-2-propan-2-yl-4-propoxypyridine;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene is CC(C)(C)COc1ccn(C(C)(C)C)n1.CC(C)CC(C)Oc1cccc(C(C)C)n1.CC(C)COc1ccc(C(C)C)cn1.CC(C)COc1ccc(F)c(C(C)C)c1.CC(C)COc1cccc(C(C)C)c1.CC(C)COc1cccc(C(C)C)n1.CC(C)COc1ccnc(C(C)C)c1.CC(C)Oc1cc(C(C)C)ccc1Cl.CC(C)Oc1cc(F)cc(C(C)C)c1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(F)c2c1OCO2.CC(C)c1ccc(OCC(C)(C)C)nc1.CC(C)c1cccc(OC(C)C(C)C)n1.CC(C)c1cccc(OCC(C)(C)C)n1.CCCOc1cc(C(C)C)ncc1Cl.Cc1ccc(C(C)C)c(C)c1.

What is the InChIKey of 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;5-chloro-2-propan-2-yl-4-propoxypyridine;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene?

The InChIKey is BMRHVGKXQBIBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.C13H19FO.3C13H21NO.C13H20O.C12H17ClO.C12H17FO.C12H22N2O.3C12H19NO.C12H18O.C11H16ClNO.C11H16.C10H11FO2/c1-10(2)9-12(5)16-14-8-6-7-13(15-14)11(3)4;1-9(2)8-15-11-5-6-13(14)12(7-11)10(3)4;1-10(2)11-6-7-12(14-8-11)15-9-13(3,4)5;1-10(2)11-7-6-8-12(14-11)15-9-13(3,4)5;1-9(2)11(5)15-13-8-6-7-12(14-13)10(3)4;1-10(2)9-14-13-7-5-6-12(8-13)11(3)4;1-8(2)10-5-6-11(13)12(7-10)14-9(3)4;1-8(2)10-5-11(13)7-12(6-10)14-9(3)4;1-11(2,3)9-15-10-7-8-14(13-10)12(4,5)6;1-9(2)8-14-11-5-6-13-12(7-11)10(3)4;1-9(2)8-14-12-6-5-11(7-13-12)10(3)4;1-9(2)8-14-12-7-5-6-11(13-12)10(3)4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-4-5-14-11-6-10(8(2)3)13-7-9(11)12;1-8(2)11-6-5-9(3)7-10(11)4;1-6(2)7-3-4-8(11)10-9(7)12-5-13-10/h6-8,10-12H,9H2,1-5H3;5-7,9-10H,8H2,1-4H3;2*6-8,10H,9H2,1-5H3;6-11H,1-5H3;5-8,10-11H,9H2,1-4H3;2*5-9H,1-4H3;7-8H,9H2,1-6H3;3*5-7,9-10H,8H2,1-4H3;5-10H,1-4H3;6-8H,4-5H2,1-3H3;5-8H,1-4H3;3-4,6H,5H2,1-2H3.

What are the key properties of 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;5-chloro-2-propan-2-yl-4-propoxypyridine;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene?

1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;5-chloro-2-propan-2-yl-4-propoxypyridine;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene has a molecular weight of 3167.49 g/mol, XLogP of 56.85, 52 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;5-chloro-2-propan-2-yl-4-propoxypyridine;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene is sourced from PubChem (CID 157396914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).