1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propoxybenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene

C155H238ClF3N4O11 — CID 157410135

About 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propoxybenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-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-propoxybenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene (PubChem CID 157410135) has the molecular formula C155H238ClF3N4O11 and a molecular weight of 2426.07 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propoxybenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-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-propoxybenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene
• PubChem CID: 157410135
• Molecular Formula: C155H238ClF3N4O11
• Molecular Weight: 2426.07 g/mol
• Exact Mass: 2423.78
• IUPAC Name: 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propoxybenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-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)COc1ccc(C(C)C)cc1.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)COc1ccnc(C(C)C)c1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(F)c2c1OCO2.CC(C)c1ccc(OCC(C)(C)C)cc1.CC1CCC(C(C)C)CC1.CCCOc1cc(C(C)C)ccc1Cl.Cc1ccc(C(C)C)c(F)c1
• InChI: InChI=1S/C14H22O.C13H19FO.2C13H20O.C12H17ClO.C12H22N2O.2C12H19NO.C12H18O.C12H18.C10H11FO2.C10H13F.C10H20/c1-11(2)12-6-8-13(9-7-12)15-10-14(3,4)5;1-9(2)8-15-11-5-6-13(14)12(7-11)10(3)4;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-10(2)9-14-13-7-5-6-12(8-13)11(3)4;1-4-7-14-12-8-10(9(2)3)5-6-11(12)13;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)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-6(2)7-3-4-8(11)10-9(7)12-5-13-10;1-7(2)9-5-4-8(3)6-10(9)11;1-8(2)10-6-4-9(3)5-7-10/h6-9,11H,10H2,1-5H3;5-7,9-10H,8H2,1-4H3;2*5-8,10-11H,9H2,1-4H3;5-6,8-9H,4,7H2,1-3H3;7-8H,9H2,1-6H3;2*5-7,9-10H,8H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3;3-4,6H,5H2,1-2H3;4-7H,1-3H3;8-10H,4-7H2,1-3H3
• InChIKey: BOEJSTCDFZTRRZ-UHFFFAOYSA-N
• XLogP: 46.64
• TPSA: 145.13 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 37
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2426.07
LogP ≤ 5	46.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propoxybenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-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-propoxybenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene (CID 157410135) is 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propoxybenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-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-propoxybenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-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-propoxybenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-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)COc1ccc(C(C)C)cc1.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)COc1ccnc(C(C)C)c1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(F)c2c1OCO2.CC(C)c1ccc(OCC(C)(C)C)cc1.CC1CCC(C(C)C)CC1.CCCOc1cc(C(C)C)ccc1Cl.Cc1ccc(C(C)C)c(F)c1.

What is the InChIKey of 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propoxybenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene?

The InChIKey is BOEJSTCDFZTRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C13H19FO.2C13H20O.C12H17ClO.C12H22N2O.2C12H19NO.C12H18O.C12H18.C10H11FO2.C10H13F.C10H20/c1-11(2)12-6-8-13(9-7-12)15-10-14(3,4)5;1-9(2)8-15-11-5-6-13(14)12(7-11)10(3)4;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-10(2)9-14-13-7-5-6-12(8-13)11(3)4;1-4-7-14-12-8-10(9(2)3)5-6-11(12)13;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)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-6(2)7-3-4-8(11)10-9(7)12-5-13-10;1-7(2)9-5-4-8(3)6-10(9)11;1-8(2)10-6-4-9(3)5-7-10/h6-9,11H,10H2,1-5H3;5-7,9-10H,8H2,1-4H3;2*5-8,10-11H,9H2,1-4H3;5-6,8-9H,4,7H2,1-3H3;7-8H,9H2,1-6H3;2*5-7,9-10H,8H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3;3-4,6H,5H2,1-2H3;4-7H,1-3H3;8-10H,4-7H2,1-3H3.

What are the key properties of 1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propoxybenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-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-propoxybenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene has a molecular weight of 2426.07 g/mol, XLogP of 46.64, 37 rotatable bonds, 0 hydrogen bond donors, and 15 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-propoxybenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene is sourced from PubChem (CID 157410135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).