1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;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;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine

C186H269ClF6N6O13 — CID 159157483

About 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;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;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine

1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;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;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine (PubChem CID 159157483) has the molecular formula C186H269ClF6N6O13 and a molecular weight of 2946.67 g/mol. Its IUPAC name is 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;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;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;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;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;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;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine
• PubChem CID: 159157483
• Molecular Formula: C186H269ClF6N6O13
• Molecular Weight: 2946.67 g/mol
• Exact Mass: 2944.02
• IUPAC Name: 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;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;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;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)COc1cccc(C(C)C)c1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(F)c2c1OCO2.CC(C)c1cccc2nn(C)cc12.CC1CCC(C(C)C)CC1.CCOc1cc(F)cc(C(C)C)c1.CCOc1ccc(F)c(C(C)C)c1.CNC(=O)c1cc(F)cc(C(C)C)c1.COc1cc(OC)cc(C(C)C)c1.Cc1ccc(C(C)C)c(F)c1
• InChI: InChI=1S/C14H21N.C13H19ClO.C13H19FO.2C13H20O.C12H17NO.C12H18.C11H14FNO.2C11H15FO.C11H14N2.C11H17NO.C11H16O2.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;1-10(2)9-14-13-7-5-6-12(8-13)11(3)4;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-4-9(11(14)13-3)6-10(12)5-8;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)9-5-4-6-11-10(9)7-13(3)12-11;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)9-5-10(12-3)7-11(6-9)13-4;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;2*5-8,10-11H,9H2,1-4H3;5-9H,1-4H3;5-10H,1-4H3;4-7H,1-3H3,(H,13,14);2*5-8H,4H2,1-3H3;4-8H,1-3H3;5-9H,1-4H3;5-8H,1-4H3;3-4,6H,5H2,1-2H3;4-7H,1-3H3;8-10H,4-7H2,1-3H3
• InChIKey: KKBODALBORXQCM-UHFFFAOYSA-N
• XLogP: 52.82
• TPSA: 184.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 40
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2946.67
LogP ≤ 5	52.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;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;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;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;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;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;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine (CID 159157483) is 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;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;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;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;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;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;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;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;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;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;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;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)COc1cccc(C(C)C)c1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(F)c2c1OCO2.CC(C)c1cccc2nn(C)cc12.CC1CCC(C(C)C)CC1.CCOc1cc(F)cc(C(C)C)c1.CCOc1ccc(F)c(C(C)C)c1.CNC(=O)c1cc(F)cc(C(C)C)c1.COc1cc(OC)cc(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;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;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;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?

The InChIKey is KKBODALBORXQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C13H19ClO.C13H19FO.2C13H20O.C12H17NO.C12H18.C11H14FNO.2C11H15FO.C11H14N2.C11H17NO.C11H16O2.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;1-10(2)9-14-13-7-5-6-12(8-13)11(3)4;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-4-9(11(14)13-3)6-10(12)5-8;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)9-5-4-6-11-10(9)7-13(3)12-11;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)9-5-10(12-3)7-11(6-9)13-4;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;2*5-8,10-11H,9H2,1-4H3;5-9H,1-4H3;5-10H,1-4H3;4-7H,1-3H3,(H,13,14);2*5-8H,4H2,1-3H3;4-8H,1-3H3;5-9H,1-4H3;5-8H,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-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;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;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine?

1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;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;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine has a molecular weight of 2946.67 g/mol, XLogP of 52.82, 40 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;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;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine is sourced from PubChem (CID 159157483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).