2-[2-[3,5-bis(trifluoromethyl)phenyl]-2-propylperoxyethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol

C137H158F18O21S7 — CID 161169063

About 2-[2-[3,5-bis(trifluoromethyl)phenyl]-2-propylperoxyethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol

2-[2-[3,5-bis(trifluoromethyl)phenyl]-2-propylperoxyethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol (PubChem CID 161169063) has the molecular formula C137H158F18O21S7 and a molecular weight of 2707.18 g/mol. Its IUPAC name is 2-[2-[3,5-bis(trifluoromethyl)phenyl]-2-propylperoxyethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

• Compound Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]-2-propylperoxyethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol
• PubChem CID: 161169063
• Molecular Formula: C137H158F18O21S7
• Molecular Weight: 2707.18 g/mol
• Exact Mass: 2704.91
• IUPAC Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]-2-propylperoxyethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol
• SMILES: CCCOOC(CSCC(O)c1cc(C)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.COc1c(C)cccc1C(O)CSCC(O)c1cccc(CO)c1OC.Cc1cc(C(O)CSCC(O)c2cc(C)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.Cc1cc(C(O)CSCC(O)c2ccc(O)c(CO)c2)ccc1O.Cc1ccc(C(O)CSCC(O)c2ccc(C(F)(F)F)c(C)c2)cc1C.Cc1ccc(C(O)CSCC(O)c2ccc(C)cc2)cc1.Cc1ccc(C(O)CSCC(O)c2ccc(C)cc2)cc1
• InChI: InChI=1S/C23H23F9O3S.C20H20F6O2S.C20H23F3O2S.C20H26O5S.C18H22O5S.2C18H22O2S/c1-3-4-34-35-20(15-8-17(22(27,28)29)10-18(9-15)23(30,31)32)12-36-11-19(33)14-5-13(2)6-16(7-14)21(24,25)26;1-11-3-13(7-15(5-11)19(21,22)23)17(27)9-29-10-18(28)14-4-12(2)6-16(8-14)20(24,25)26;1-12-4-5-15(8-13(12)2)18(24)10-26-11-19(25)16-6-7-17(14(3)9-16)20(21,22)23;1-13-6-4-8-15(19(13)24-2)17(22)11-26-12-18(23)16-9-5-7-14(10-21)20(16)25-3;1-11-6-12(2-4-15(11)20)17(22)9-24-10-18(23)13-3-5-16(21)14(7-13)8-19;2*1-13-3-7-15(8-4-13)17(19)11-21-12-18(20)16-9-5-14(2)6-10-16/h5-10,19-20,33H,3-4,11-12H2,1-2H3;3-8,17-18,27-28H,9-10H2,1-2H3;4-9,18-19,24-25H,10-11H2,1-3H3;4-9,17-18,21-23H,10-12H2,1-3H3;2-7,17-23H,8-10H2,1H3;2*3-10,17-20H,11-12H2,1-2H3
• InChIKey: UQXZPLDEHCSLGA-UHFFFAOYSA-N
• XLogP: 31.90
• TPSA: 380.83 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 28
• Rotatable Bonds: 50
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2707.18
LogP ≤ 5	31.90
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-bis(trifluoromethyl)phenyl]-2-propylperoxyethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol?

The IUPAC name of 2-[2-[3,5-bis(trifluoromethyl)phenyl]-2-propylperoxyethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol (CID 161169063) is 2-[2-[3,5-bis(trifluoromethyl)phenyl]-2-propylperoxyethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol.

What is the SMILES notation for 2-[2-[3,5-bis(trifluoromethyl)phenyl]-2-propylperoxyethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol?

The canonical SMILES for 2-[2-[3,5-bis(trifluoromethyl)phenyl]-2-propylperoxyethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol is CCCOOC(CSCC(O)c1cc(C)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.COc1c(C)cccc1C(O)CSCC(O)c1cccc(CO)c1OC.Cc1cc(C(O)CSCC(O)c2cc(C)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.Cc1cc(C(O)CSCC(O)c2ccc(O)c(CO)c2)ccc1O.Cc1ccc(C(O)CSCC(O)c2ccc(C(F)(F)F)c(C)c2)cc1C.Cc1ccc(C(O)CSCC(O)c2ccc(C)cc2)cc1.Cc1ccc(C(O)CSCC(O)c2ccc(C)cc2)cc1.

What is the InChIKey of 2-[2-[3,5-bis(trifluoromethyl)phenyl]-2-propylperoxyethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol?

The InChIKey is UQXZPLDEHCSLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F9O3S.C20H20F6O2S.C20H23F3O2S.C20H26O5S.C18H22O5S.2C18H22O2S/c1-3-4-34-35-20(15-8-17(22(27,28)29)10-18(9-15)23(30,31)32)12-36-11-19(33)14-5-13(2)6-16(7-14)21(24,25)26;1-11-3-13(7-15(5-11)19(21,22)23)17(27)9-29-10-18(28)14-4-12(2)6-16(8-14)20(24,25)26;1-12-4-5-15(8-13(12)2)18(24)10-26-11-19(25)16-6-7-17(14(3)9-16)20(21,22)23;1-13-6-4-8-15(19(13)24-2)17(22)11-26-12-18(23)16-9-5-7-14(10-21)20(16)25-3;1-11-6-12(2-4-15(11)20)17(22)9-24-10-18(23)13-3-5-16(21)14(7-13)8-19;2*1-13-3-7-15(8-4-13)17(19)11-21-12-18(20)16-9-5-14(2)6-10-16/h5-10,19-20,33H,3-4,11-12H2,1-2H3;3-8,17-18,27-28H,9-10H2,1-2H3;4-9,18-19,24-25H,10-11H2,1-3H3;4-9,17-18,21-23H,10-12H2,1-3H3;2-7,17-23H,8-10H2,1H3;2*3-10,17-20H,11-12H2,1-2H3.

What are the key properties of 2-[2-[3,5-bis(trifluoromethyl)phenyl]-2-propylperoxyethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol?

2-[2-[3,5-bis(trifluoromethyl)phenyl]-2-propylperoxyethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol has a molecular weight of 2707.18 g/mol, XLogP of 31.90, 50 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3,5-bis(trifluoromethyl)phenyl]-2-propylperoxyethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 161169063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).