1-(2-cyclohexylethyl)-4-methylbenzene;1-(2-cyclopropylethyl)-4-methylbenzene;1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;5-methyl-8-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene;pentakis(propane-2-sulfinate);1-(propan-2-ylsulfonylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]benzene

C136H183F4O15S7-5 — CID 161370098

About 1-(2-cyclohexylethyl)-4-methylbenzene;1-(2-cyclopropylethyl)-4-methylbenzene;1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;5-methyl-8-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene;pentakis(propane-2-sulfinate);1-(propan-2-ylsulfonylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]benzene

1-(2-cyclohexylethyl)-4-methylbenzene;1-(2-cyclopropylethyl)-4-methylbenzene;1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;5-methyl-8-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene;pentakis(propane-2-sulfinate);1-(propan-2-ylsulfonylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]benzene (PubChem CID 161370098) has the molecular formula C136H183F4O15S7-5 and a molecular weight of 2358.41 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-4-methylbenzene;1-(2-cyclopropylethyl)-4-methylbenzene;1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;5-methyl-8-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene;pentakis(propane-2-sulfinate);1-(propan-2-ylsulfonylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]benzene.

Molecular Properties

• Compound Name: 1-(2-cyclohexylethyl)-4-methylbenzene;1-(2-cyclopropylethyl)-4-methylbenzene;1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;5-methyl-8-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene;pentakis(propane-2-sulfinate);1-(propan-2-ylsulfonylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]benzene
• PubChem CID: 161370098
• Molecular Formula: C136H183F4O15S7-5
• Molecular Weight: 2358.41 g/mol
• Exact Mass: 2356.16
• IUPAC Name: 1-(2-cyclohexylethyl)-4-methylbenzene;1-(2-cyclopropylethyl)-4-methylbenzene;1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;5-methyl-8-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene;pentakis(propane-2-sulfinate);1-(propan-2-ylsulfonylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]benzene
• SMILES: CC(C)S(=O)(=O)Cc1ccc(CCCc2ccc(C(F)(F)F)cc2)cc1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].COc1ccc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc1.Cc1ccc(CCC2CC2)cc1.Cc1ccc(CCC2CCCCC2)cc1.Cc1ccc(CCc2ccc(C)c3c2CCCC3)cc1.Cc1ccc(CCc2ccc(F)cc2)cc1.Cc1ccc(CCc2ccc3c(c2)CC(C)C3C)cc1
• InChI: InChI=1S/C20H23F3O2S.2C20H24.C19H24O3S.C15H15F.C15H22.C12H16.5C3H8O2S/c1-15(2)26(24,25)14-18-8-6-16(7-9-18)4-3-5-17-10-12-19(13-11-17)20(21,22)23;1-14-4-6-17(7-5-14)8-9-18-10-11-20-16(3)15(2)12-19(20)13-18;1-15-7-10-17(11-8-15)12-14-18-13-9-16(2)19-5-3-4-6-20(18)19;1-15(2)23(20,21)14-18-8-6-16(7-9-18)4-5-17-10-12-19(22-3)13-11-17;1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14;1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;1-10-2-4-11(5-3-10)6-7-12-8-9-12;5*1-3(2)6(4)5/h6-13,15H,3-5,14H2,1-2H3;4-7,10-11,13,15-16H,8-9,12H2,1-3H3;7-11,13H,3-6,12,14H2,1-2H3;6-13,15H,4-5,14H2,1-3H3;2-5,8-11H,6-7H2,1H3;7-10,14H,2-6,11-12H2,1H3;2-5,12H,6-9H2,1H3;5*3H,1-2H3,(H,4,5)/p-5
• InChIKey: FTGOMJXBLFUQAD-UHFFFAOYSA-I
• XLogP: 32.19
• TPSA: 278.16 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 34
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2358.41
LogP ≤ 5	32.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-4-methylbenzene;1-(2-cyclopropylethyl)-4-methylbenzene;1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;5-methyl-8-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene;pentakis(propane-2-sulfinate);1-(propan-2-ylsulfonylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]benzene?

The IUPAC name of 1-(2-cyclohexylethyl)-4-methylbenzene;1-(2-cyclopropylethyl)-4-methylbenzene;1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;5-methyl-8-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene;pentakis(propane-2-sulfinate);1-(propan-2-ylsulfonylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]benzene (CID 161370098) is 1-(2-cyclohexylethyl)-4-methylbenzene;1-(2-cyclopropylethyl)-4-methylbenzene;1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;5-methyl-8-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene;pentakis(propane-2-sulfinate);1-(propan-2-ylsulfonylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]benzene.

What is the SMILES notation for 1-(2-cyclohexylethyl)-4-methylbenzene;1-(2-cyclopropylethyl)-4-methylbenzene;1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;5-methyl-8-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene;pentakis(propane-2-sulfinate);1-(propan-2-ylsulfonylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]benzene?

The canonical SMILES for 1-(2-cyclohexylethyl)-4-methylbenzene;1-(2-cyclopropylethyl)-4-methylbenzene;1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;5-methyl-8-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene;pentakis(propane-2-sulfinate);1-(propan-2-ylsulfonylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]benzene is CC(C)S(=O)(=O)Cc1ccc(CCCc2ccc(C(F)(F)F)cc2)cc1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].COc1ccc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc1.Cc1ccc(CCC2CC2)cc1.Cc1ccc(CCC2CCCCC2)cc1.Cc1ccc(CCc2ccc(C)c3c2CCCC3)cc1.Cc1ccc(CCc2ccc(F)cc2)cc1.Cc1ccc(CCc2ccc3c(c2)CC(C)C3C)cc1.

What is the InChIKey of 1-(2-cyclohexylethyl)-4-methylbenzene;1-(2-cyclopropylethyl)-4-methylbenzene;1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;5-methyl-8-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene;pentakis(propane-2-sulfinate);1-(propan-2-ylsulfonylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]benzene?

The InChIKey is FTGOMJXBLFUQAD-UHFFFAOYSA-I. The full InChI is InChI=1S/C20H23F3O2S.2C20H24.C19H24O3S.C15H15F.C15H22.C12H16.5C3H8O2S/c1-15(2)26(24,25)14-18-8-6-16(7-9-18)4-3-5-17-10-12-19(13-11-17)20(21,22)23;1-14-4-6-17(7-5-14)8-9-18-10-11-20-16(3)15(2)12-19(20)13-18;1-15-7-10-17(11-8-15)12-14-18-13-9-16(2)19-5-3-4-6-20(18)19;1-15(2)23(20,21)14-18-8-6-16(7-9-18)4-5-17-10-12-19(22-3)13-11-17;1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14;1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;1-10-2-4-11(5-3-10)6-7-12-8-9-12;5*1-3(2)6(4)5/h6-13,15H,3-5,14H2,1-2H3;4-7,10-11,13,15-16H,8-9,12H2,1-3H3;7-11,13H,3-6,12,14H2,1-2H3;6-13,15H,4-5,14H2,1-3H3;2-5,8-11H,6-7H2,1H3;7-10,14H,2-6,11-12H2,1H3;2-5,12H,6-9H2,1H3;5*3H,1-2H3,(H,4,5)/p-5.

What are the key properties of 1-(2-cyclohexylethyl)-4-methylbenzene;1-(2-cyclopropylethyl)-4-methylbenzene;1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;5-methyl-8-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene;pentakis(propane-2-sulfinate);1-(propan-2-ylsulfonylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]benzene?

1-(2-cyclohexylethyl)-4-methylbenzene;1-(2-cyclopropylethyl)-4-methylbenzene;1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;5-methyl-8-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene;pentakis(propane-2-sulfinate);1-(propan-2-ylsulfonylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]benzene has a molecular weight of 2358.41 g/mol, XLogP of 32.19, 34 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-cyclohexylethyl)-4-methylbenzene;1-(2-cyclopropylethyl)-4-methylbenzene;1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-[2-(4-methoxyphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;5-methyl-8-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene;pentakis(propane-2-sulfinate);1-(propan-2-ylsulfonylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]benzene is sourced from PubChem (CID 161370098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).