1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-(2-methylpropyl)-4-propan-2-yl-2H-imidazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole

C154H225F6N13O9 — CID 157241318

About 1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-(2-methylpropyl)-4-propan-2-yl-2H-imidazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole

1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-(2-methylpropyl)-4-propan-2-yl-2H-imidazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole (PubChem CID 157241318) has the molecular formula C154H225F6N13O9 and a molecular weight of 2516.56 g/mol. Its IUPAC name is 1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-(2-methylpropyl)-4-propan-2-yl-2H-imidazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole.

Molecular Properties

• Compound Name: 1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-(2-methylpropyl)-4-propan-2-yl-2H-imidazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
• PubChem CID: 157241318
• Molecular Formula: C154H225F6N13O9
• Molecular Weight: 2516.56 g/mol
• Exact Mass: 2514.75
• IUPAC Name: 1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-(2-methylpropyl)-4-propan-2-yl-2H-imidazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
• SMILES: CC(C)CC1N=CC(C(C)C)=N1.CC(C)CCn1cc(C(C)C)cn1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)NC(=O)c1ccc(C(C)C)cc1F.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1cc(O)cc(F)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1cccc2nn(C)cc12.CCCn1cc(C(C)C)cn1.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)cc1F
• InChI: InChI=1S/C14H21N.C13H18FNO.C12H17NO.C11H14FNO.2C11H15FO.C11H14N2.C11H20N2.C11H17NO.C11H16O2.C10H13F.C10H18N2.C9H11FO.C9H16N2/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-8(2)10-5-6-11(12(14)7-10)13(16)15-9(3)4;1-9(2)10-5-7-11(8-6-10)12(14)13(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;1-9(2)5-6-13-8-11(7-12-13)10(3)4;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;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)5-10-11-6-9(12-10)8(3)4;1-6(2)7-3-8(10)5-9(11)4-7;1-4-5-11-7-9(6-10-11)8(2)3/h3-5,7-8,12,14H,6,9-11H2,1-2H3;5-9H,1-4H3,(H,15,16);5-9H,1-4H3;4-7H,1-3H3,(H,13,14);2*5-8H,4H2,1-3H3;4-8H,1-3H3;7-10H,5-6H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;6-8,10H,5H2,1-4H3;3-6,11H,1-2H3;6-8H,4-5H2,1-3H3
• InChIKey: AVGCFXICVBHGDY-UHFFFAOYSA-N
• XLogP: 40.32
• TPSA: 239.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 34
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2516.56
LogP ≤ 5	40.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-(2-methylpropyl)-4-propan-2-yl-2H-imidazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole?

The IUPAC name of 1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-(2-methylpropyl)-4-propan-2-yl-2H-imidazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole (CID 157241318) is 1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-(2-methylpropyl)-4-propan-2-yl-2H-imidazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole.

What is the SMILES notation for 1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-(2-methylpropyl)-4-propan-2-yl-2H-imidazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole?

The canonical SMILES for 1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-(2-methylpropyl)-4-propan-2-yl-2H-imidazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole is CC(C)CC1N=CC(C(C)C)=N1.CC(C)CCn1cc(C(C)C)cn1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)NC(=O)c1ccc(C(C)C)cc1F.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1cc(O)cc(F)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1cccc2nn(C)cc12.CCCn1cc(C(C)C)cn1.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)cc1F.

What is the InChIKey of 1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-(2-methylpropyl)-4-propan-2-yl-2H-imidazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole?

The InChIKey is AVGCFXICVBHGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C13H18FNO.C12H17NO.C11H14FNO.2C11H15FO.C11H14N2.C11H20N2.C11H17NO.C11H16O2.C10H13F.C10H18N2.C9H11FO.C9H16N2/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-8(2)10-5-6-11(12(14)7-10)13(16)15-9(3)4;1-9(2)10-5-7-11(8-6-10)12(14)13(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;1-9(2)5-6-13-8-11(7-12-13)10(3)4;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;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)5-10-11-6-9(12-10)8(3)4;1-6(2)7-3-8(10)5-9(11)4-7;1-4-5-11-7-9(6-10-11)8(2)3/h3-5,7-8,12,14H,6,9-11H2,1-2H3;5-9H,1-4H3,(H,15,16);5-9H,1-4H3;4-7H,1-3H3,(H,13,14);2*5-8H,4H2,1-3H3;4-8H,1-3H3;7-10H,5-6H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;6-8,10H,5H2,1-4H3;3-6,11H,1-2H3;6-8H,4-5H2,1-3H3.

What are the key properties of 1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-(2-methylpropyl)-4-propan-2-yl-2H-imidazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole?

1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-(2-methylpropyl)-4-propan-2-yl-2H-imidazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole has a molecular weight of 2516.56 g/mol, XLogP of 40.32, 34 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-(2-methylpropyl)-4-propan-2-yl-2H-imidazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole is sourced from PubChem (CID 157241318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).