1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene

C204H289F7N10OS3 — CID 159972888

About 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 159972888) has the molecular formula C204H289F7N10OS3 and a molecular weight of 3126.81 g/mol. Its IUPAC name is 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene
• PubChem CID: 159972888
• Molecular Formula: C204H289F7N10OS3
• Molecular Weight: 3126.81 g/mol
• Exact Mass: 3124.19
• IUPAC Name: 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene
• SMILES: C.C.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(F)c(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1F.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1cnc(C(C)C)s1.Cc1cncc(C(C)C)c1.Cc1csc(C(C)C)n1.Cc1ncc(C(C)C)s1
• InChI: InChI=1S/C15H16O.C15H22.2C14H21N.C14H20.C13H19N.C10H11F3.4C10H13F.C10H14.4C9H13N.3C7H11NS.2CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;2*1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)9-6-4-5-8(3)10(9)11;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;;/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;2*6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-7H,1-2H3;4*4-7H,1-3H3;4-8H,1-3H3;4*4-7H,1-3H3;3*4-5H,1-3H3;2*1H4
• InChIKey: OETYSLMCXWVNSQ-UHFFFAOYSA-N
• XLogP: 63.97
• TPSA: 109.18 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 26
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3126.81
LogP ≤ 5	63.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene?

The IUPAC name of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene (CID 159972888) is 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene.

What is the SMILES notation for 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene?

The canonical SMILES for 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene is C.C.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(F)c(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1F.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1cnc(C(C)C)s1.Cc1cncc(C(C)C)c1.Cc1csc(C(C)C)n1.Cc1ncc(C(C)C)s1.

What is the InChIKey of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene?

The InChIKey is OETYSLMCXWVNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C15H22.2C14H21N.C14H20.C13H19N.C10H11F3.4C10H13F.C10H14.4C9H13N.3C7H11NS.2CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;2*1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)9-6-4-5-8(3)10(9)11;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;;/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;2*6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-7H,1-2H3;4*4-7H,1-3H3;4-8H,1-3H3;4*4-7H,1-3H3;3*4-5H,1-3H3;2*1H4.

What are the key properties of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene?

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 3126.81 g/mol, XLogP of 63.97, 26 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 159972888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).