1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-4-propan-2-ylbenzene;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine

C128H188ClF5N2O8 — CID 157237036

About 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-4-propan-2-ylbenzene;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine

1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-4-propan-2-ylbenzene;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine (PubChem CID 157237036) has the molecular formula C128H188ClF5N2O8 and a molecular weight of 2013.36 g/mol. Its IUPAC name is 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-4-propan-2-ylbenzene;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine.

Molecular Properties

• Compound Name: 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-4-propan-2-ylbenzene;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine
• PubChem CID: 157237036
• Molecular Formula: C128H188ClF5N2O8
• Molecular Weight: 2013.36 g/mol
• Exact Mass: 2011.40
• IUPAC Name: 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-4-propan-2-ylbenzene;(3R)-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)N1CCC[C@H](c2ccccc2)C1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(F)c2c1OCO2.CC1CCC(C(C)C)CC1.CCOc1cc(F)cc(C(C)C)c1.CCOc1ccc(F)c(C(C)C)c1.Cc1ccc(C(C)C)c(F)c1
• InChI: InChI=1S/C14H21N.C13H19ClO.C13H19FO.C13H20O.C12H18.2C11H15FO.C11H17NO.C10H11FO2.C10H13F.C10H20/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;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-4-13-11-6-9(8(2)3)5-10(12)7-11;1-4-13-9-5-6-11(12)10(7-9)8(2)3;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;1-7(2)9-5-4-8(3)6-10(9)11;1-8(2)10-6-4-9(3)5-7-10/h3-5,7-8,12,14H,6,9-11H2,1-2H3;2*5-7,9-10H,8H2,1-4H3;5-8,10-11H,9H2,1-4H3;5-10H,1-4H3;2*5-8H,4H2,1-3H3;5-9H,1-4H3;3-4,6H,5H2,1-2H3;4-7H,1-3H3;8-10H,4-7H2,1-3H3/t14-;;;;;;;;;;/m0........../s1
• InChIKey: AUTFQEHFGJTFBQ-APUZCCIYSA-N
• XLogP: 38.63
• TPSA: 89.97 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 28
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2013.36
LogP ≤ 5	38.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-4-propan-2-ylbenzene;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?

The IUPAC name of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-4-propan-2-ylbenzene;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine (CID 157237036) is 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-4-propan-2-ylbenzene;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine.

What is the SMILES notation for 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-4-propan-2-ylbenzene;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?

The canonical SMILES for 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-4-propan-2-ylbenzene;(3R)-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)N1CCC[C@H](c2ccccc2)C1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(F)c2c1OCO2.CC1CCC(C(C)C)CC1.CCOc1cc(F)cc(C(C)C)c1.CCOc1ccc(F)c(C(C)C)c1.Cc1ccc(C(C)C)c(F)c1.

What is the InChIKey of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-4-propan-2-ylbenzene;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?

The InChIKey is AUTFQEHFGJTFBQ-APUZCCIYSA-N. The full InChI is InChI=1S/C14H21N.C13H19ClO.C13H19FO.C13H20O.C12H18.2C11H15FO.C11H17NO.C10H11FO2.C10H13F.C10H20/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;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-4-13-11-6-9(8(2)3)5-10(12)7-11;1-4-13-9-5-6-11(12)10(7-9)8(2)3;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;1-7(2)9-5-4-8(3)6-10(9)11;1-8(2)10-6-4-9(3)5-7-10/h3-5,7-8,12,14H,6,9-11H2,1-2H3;2*5-7,9-10H,8H2,1-4H3;5-8,10-11H,9H2,1-4H3;5-10H,1-4H3;2*5-8H,4H2,1-3H3;5-9H,1-4H3;3-4,6H,5H2,1-2H3;4-7H,1-3H3;8-10H,4-7H2,1-3H3/t14-;;;;;;;;;;/m0........../s1.

What are the key properties of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-4-propan-2-ylbenzene;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?

1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-4-propan-2-ylbenzene;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine has a molecular weight of 2013.36 g/mol, XLogP of 38.63, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;1-(2-methylpropoxy)-4-propan-2-ylbenzene;(3R)-3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine is sourced from PubChem (CID 157237036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).