4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;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;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole

C175H254Cl2F8N10O10 — CID 157202924

About 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;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;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole

4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;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;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole (PubChem CID 157202924) has the molecular formula C175H254Cl2F8N10O10 and a molecular weight of 2880.91 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;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;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole.

Molecular Properties

• Compound Name: 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;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;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
• PubChem CID: 157202924
• Molecular Formula: C175H254Cl2F8N10O10
• Molecular Weight: 2880.91 g/mol
• Exact Mass: 2877.89
• IUPAC Name: 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;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;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
• SMILES: CC(C)CCn1cc(C(C)C)cn1.CC(C)COc1cc(C(C)C)ccc1Cl.CC(C)COc1cc(C(C)C)ccc1F.CC(C)N1CCCC(c2ccccc2)C1.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)c1ccc(Cl)cc1F.CC(C)c1ccc(F)c(F)c1.CC(C)c1cccc2nn(C)cc12.CC1CCC(C(C)C)CC1.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
• InChI: InChI=1S/C14H21N.C13H19ClO.C13H19FO.C12H17NO.C11H14FNO.2C11H15FO.C11H14N2.C11H20N2.C11H17NO.C11H16O2.C10H20.C9H10ClF.C9H10F2.C9H11FO.C9H16N2/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;2*1-9(2)8-15-13-7-11(10(3)4)5-6-12(13)14;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;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;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;2*5-7,9-10H,8H2,1-4H3;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;8-10H,4-7H2,1-3H3;2*3-6H,1-2H3;3-6,11H,1-2H3;6-8H,4-5H2,1-3H3
• InChIKey: AQZYHXLPCDGCJN-UHFFFAOYSA-N
• XLogP: 50.07
• TPSA: 203.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 38
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2880.91
LogP ≤ 5	50.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

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;1,2-difluoro-4-propan-2-ylbenzene;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;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole?

The IUPAC name of 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;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;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole (CID 157202924) is 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;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;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;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 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;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;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole?

The canonical SMILES for 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;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;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole is CC(C)CCn1cc(C(C)C)cn1.CC(C)COc1cc(C(C)C)ccc1Cl.CC(C)COc1cc(C(C)C)ccc1F.CC(C)N1CCCC(c2ccccc2)C1.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)c1ccc(Cl)cc1F.CC(C)c1ccc(F)c(F)c1.CC(C)c1cccc2nn(C)cc12.CC1CCC(C(C)C)CC1.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.

What is the InChIKey of 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;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;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole?

The InChIKey is AQZYHXLPCDGCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C13H19ClO.C13H19FO.C12H17NO.C11H14FNO.2C11H15FO.C11H14N2.C11H20N2.C11H17NO.C11H16O2.C10H20.C9H10ClF.C9H10F2.C9H11FO.C9H16N2/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;2*1-9(2)8-15-13-7-11(10(3)4)5-6-12(13)14;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;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;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;2*5-7,9-10H,8H2,1-4H3;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;8-10H,4-7H2,1-3H3;2*3-6H,1-2H3;3-6,11H,1-2H3;6-8H,4-5H2,1-3H3.

What are the key properties of 4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;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;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole?

4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;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;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;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 2880.91 g/mol, XLogP of 50.07, 38 rotatable bonds, 2 hydrogen bond donors, and 18 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;1,2-difluoro-4-propan-2-ylbenzene;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;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;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 157202924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).