4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-fluoro-3-(2-methylpropoxy)-5-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;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine

C167H249Cl3F4N4O11 — CID 157439742

About 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-fluoro-3-(2-methylpropoxy)-5-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;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine

4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-fluoro-3-(2-methylpropoxy)-5-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;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine (PubChem CID 157439742) has the molecular formula C167H249Cl3F4N4O11 and a molecular weight of 2671.20 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-fluoro-3-(2-methylpropoxy)-5-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;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine.

Molecular Properties

• Compound Name: 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-fluoro-3-(2-methylpropoxy)-5-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;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine
• PubChem CID: 157439742
• Molecular Formula: C167H249Cl3F4N4O11
• Molecular Weight: 2671.20 g/mol
• Exact Mass: 2667.80
• IUPAC Name: 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-fluoro-3-(2-methylpropoxy)-5-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;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine
• SMILES: CC(C)COc1cc(C(C)C)ccc1Cl.CC(C)COc1cc(F)cc(C(C)C)c1.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)N1CCCC(c2ccccc2)C1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(Cl)cc1F.CC(C)c1ccc(F)c2c1OCO2.CC1CCC(C(C)C)CC1.CCCOc1cc(C(C)C)ccc1Cl
• InChI: InChI=1S/C14H21N.C13H19ClO.2C13H19FO.2C13H20O.C12H17ClO.2C12H19NO.C12H18.C11H17NO.C10H11FO2.C10H20.C9H10ClF/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-9(2)8-15-13-7-11(10(3)4)5-6-12(13)14;1-9(2)8-15-13-6-11(10(3)4)5-12(14)7-13;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;1-9(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)10(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-6(2)7-3-4-8(11)10-9(7)12-5-13-10;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-3-7(10)5-9(8)11/h3-5,7-8,12,14H,6,9-11H2,1-2H3;3*5-7,9-10H,8H2,1-4H3;2*5-8,10-11H,9H2,1-4H3;5-6,8-9H,4,7H2,1-3H3;2*5-7,9-10H,8H2,1-4H3;5-10H,1-4H3;5-9H,1-4H3;3-4,6H,5H2,1-2H3;8-10H,4-7H2,1-3H3;3-6H,1-2H3
• InChIKey: BRNHBBYEOWOXDL-UHFFFAOYSA-N
• XLogP: 50.84
• TPSA: 143.44 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 42
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2671.20
LogP ≤ 5	50.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-fluoro-3-(2-methylpropoxy)-5-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;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?

The IUPAC name of 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-fluoro-3-(2-methylpropoxy)-5-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;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine (CID 157439742) is 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-fluoro-3-(2-methylpropoxy)-5-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;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine.

What is the SMILES notation for 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-fluoro-3-(2-methylpropoxy)-5-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;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?

The canonical SMILES for 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-fluoro-3-(2-methylpropoxy)-5-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;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine is CC(C)COc1cc(C(C)C)ccc1Cl.CC(C)COc1cc(F)cc(C(C)C)c1.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)N1CCCC(c2ccccc2)C1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(Cl)cc1F.CC(C)c1ccc(F)c2c1OCO2.CC1CCC(C(C)C)CC1.CCCOc1cc(C(C)C)ccc1Cl.

What is the InChIKey of 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-fluoro-3-(2-methylpropoxy)-5-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;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?

The InChIKey is BRNHBBYEOWOXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C13H19ClO.2C13H19FO.2C13H20O.C12H17ClO.2C12H19NO.C12H18.C11H17NO.C10H11FO2.C10H20.C9H10ClF/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-9(2)8-15-13-7-11(10(3)4)5-6-12(13)14;1-9(2)8-15-13-6-11(10(3)4)5-12(14)7-13;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;1-9(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)10(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-6(2)7-3-4-8(11)10-9(7)12-5-13-10;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-3-7(10)5-9(8)11/h3-5,7-8,12,14H,6,9-11H2,1-2H3;3*5-7,9-10H,8H2,1-4H3;2*5-8,10-11H,9H2,1-4H3;5-6,8-9H,4,7H2,1-3H3;2*5-7,9-10H,8H2,1-4H3;5-10H,1-4H3;5-9H,1-4H3;3-4,6H,5H2,1-2H3;8-10H,4-7H2,1-3H3;3-6H,1-2H3.

What are the key properties of 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-fluoro-3-(2-methylpropoxy)-5-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;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?

4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-fluoro-3-(2-methylpropoxy)-5-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;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine has a molecular weight of 2671.20 g/mol, XLogP of 50.84, 42 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;1,4-di(propan-2-yl)benzene;1-fluoro-3-(2-methylpropoxy)-5-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;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine is sourced from PubChem (CID 157439742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).