1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(propane-2-sulfinate)

C138H175F6N2O15S7-3 — CID 159765514

About 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(propane-2-sulfinate)

1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(propane-2-sulfinate) (PubChem CID 159765514) has the molecular formula C138H175F6N2O15S7-3 and a molecular weight of 2440.37 g/mol. Its IUPAC name is 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(propane-2-sulfinate).

Molecular Properties

• Compound Name: 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(propane-2-sulfinate)
• PubChem CID: 159765514
• Molecular Formula: C138H175F6N2O15S7-3
• Molecular Weight: 2440.37 g/mol
• Exact Mass: 2438.10
• IUPAC Name: 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(propane-2-sulfinate)
• SMILES: CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCC(Oc2ccc(CCc3ccc(CS(=O)(=O)C(C)C)cc3)cc2)C1C.CCc1cc(CCc2ccc(C)cc2)ccc1C(F)(F)F.CCc1cc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)c1C.Cc1ccc(CCc2ccc(-c3cc(C)cs3)cc2C)cc1.Cc1ccc(CCc2ccc(-c3ncco3)cc2C)cc1C
• InChI: InChI=1S/2C25H34O3S.C21H22S.C20H24F3NO2S.C20H21NO.C18H19F3.3C3H8O2S/c1-18(2)29(26,27)17-23-10-8-21(9-11-23)6-7-22-12-14-24(15-13-22)28-25-16-5-19(3)20(25)4;1-4-23-17-21(15-16-25(23)28-24-7-5-6-8-24)12-9-20-10-13-22(14-11-20)18-29(26,27)19(2)3;1-15-4-6-18(7-5-15)8-9-19-10-11-20(13-17(19)3)21-12-16(2)14-22-21;1-13(2)27(25,26)12-17-7-5-16(6-8-17)9-10-19-15(4)14(3)18(11-24-19)20(21,22)23;1-14-4-5-17(12-15(14)2)6-7-18-8-9-19(13-16(18)3)20-21-10-11-22-20;1-3-16-12-15(10-11-17(16)18(19,20)21)9-8-14-6-4-13(2)5-7-14;3*1-3(2)6(4)5/h8-15,18-20,25H,5-7,16-17H2,1-4H3;10-11,13-17,19,24H,4-9,12,18H2,1-3H3;4-7,10-14H,8-9H2,1-3H3;5-8,11,13H,9-10,12H2,1-4H3;4-5,8-13H,6-7H2,1-3H3;4-7,10-12H,3,8-9H2,1-2H3;3*3H,1-2H3,(H,4,5)/p-3
• InChIKey: RJAWARFFWQFNDE-UHFFFAOYSA-K
• XLogP: 33.47
• TPSA: 280.19 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 38
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2440.37
LogP ≤ 5	33.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(propane-2-sulfinate)?

The IUPAC name of 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(propane-2-sulfinate) (CID 159765514) is 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(propane-2-sulfinate).

What is the SMILES notation for 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(propane-2-sulfinate)?

The canonical SMILES for 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(propane-2-sulfinate) is CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCC(Oc2ccc(CCc3ccc(CS(=O)(=O)C(C)C)cc3)cc2)C1C.CCc1cc(CCc2ccc(C)cc2)ccc1C(F)(F)F.CCc1cc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)c1C.Cc1ccc(CCc2ccc(-c3cc(C)cs3)cc2C)cc1.Cc1ccc(CCc2ccc(-c3ncco3)cc2C)cc1C.

What is the InChIKey of 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(propane-2-sulfinate)?

The InChIKey is RJAWARFFWQFNDE-UHFFFAOYSA-K. The full InChI is InChI=1S/2C25H34O3S.C21H22S.C20H24F3NO2S.C20H21NO.C18H19F3.3C3H8O2S/c1-18(2)29(26,27)17-23-10-8-21(9-11-23)6-7-22-12-14-24(15-13-22)28-25-16-5-19(3)20(25)4;1-4-23-17-21(15-16-25(23)28-24-7-5-6-8-24)12-9-20-10-13-22(14-11-20)18-29(26,27)19(2)3;1-15-4-6-18(7-5-15)8-9-19-10-11-20(13-17(19)3)21-12-16(2)14-22-21;1-13(2)27(25,26)12-17-7-5-16(6-8-17)9-10-19-15(4)14(3)18(11-24-19)20(21,22)23;1-14-4-5-17(12-15(14)2)6-7-18-8-9-19(13-16(18)3)20-21-10-11-22-20;1-3-16-12-15(10-11-17(16)18(19,20)21)9-8-14-6-4-13(2)5-7-14;3*1-3(2)6(4)5/h8-15,18-20,25H,5-7,16-17H2,1-4H3;10-11,13-17,19,24H,4-9,12,18H2,1-3H3;4-7,10-14H,8-9H2,1-3H3;5-8,11,13H,9-10,12H2,1-4H3;4-5,8-13H,6-7H2,1-3H3;4-7,10-12H,3,8-9H2,1-2H3;3*3H,1-2H3,(H,4,5)/p-3.

What are the key properties of 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(propane-2-sulfinate)?

1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(propane-2-sulfinate) has a molecular weight of 2440.37 g/mol, XLogP of 33.47, 38 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;1-[2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethyl-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(propane-2-sulfinate) is sourced from PubChem (CID 159765514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).