[3,5-dimethyl-4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium

C147H148F4O15S6+6 — CID 157251110

About [3,5-dimethyl-4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium

[3,5-dimethyl-4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium (PubChem CID 157251110) has the molecular formula C147H148F4O15S6+6 and a molecular weight of 2423.18 g/mol. Its IUPAC name is [3,5-dimethyl-4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium.

Molecular Properties

• Compound Name: [3,5-dimethyl-4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium
• PubChem CID: 157251110
• Molecular Formula: C147H148F4O15S6+6
• Molecular Weight: 2423.18 g/mol
• Exact Mass: 2420.90
• IUPAC Name: [3,5-dimethyl-4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium
• SMILES: CC(C)(C)OC(=O)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC1(OC(=O)COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCC1.CC1(Oc2cc([S+](c3ccccc3)c3ccccc3)ccc2F)CCCC1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OC(C)(C)C.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OC1(C)CCCC1.FC(F)(F)Oc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
• InChI: InChI=1S/C28H31O3S.C26H27O3S.C26H29O3S.C24H24FOS.C24H25O3S.C19H12F3O2S/c1-21-18-25(32(23-12-6-4-7-13-23)24-14-8-5-9-15-24)19-22(2)27(21)30-20-26(29)31-28(3)16-10-11-17-28;1-26(18-8-9-19-26)29-25(27)20-28-21-14-16-24(17-15-21)30(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-19-16-23(17-20(2)25(19)28-18-24(27)29-26(3,4)5)30(21-12-8-6-9-13-21)22-14-10-7-11-15-22;1-24(16-8-9-17-24)26-23-18-21(14-15-22(23)25)27(19-10-4-2-5-11-19)20-12-6-3-7-13-20;1-24(2,3)27-23(25)18-26-19-14-16-22(17-15-19)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21;20-19(21,22)24-13-9-11-14(12-10-13)25-17-7-3-1-5-15(17)23-16-6-2-4-8-18(16)25/h4-9,12-15,18-19H,10-11,16-17,20H2,1-3H3;2-7,10-17H,8-9,18-20H2,1H3;6-17H,18H2,1-5H3;2-7,10-15,18H,8-9,16-17H2,1H3;4-17H,18H2,1-3H3;1-12H/q6*+1
• InChIKey: AWIXVYJKIXGLSJ-UHFFFAOYSA-N
• XLogP: 36.73
• TPSA: 169.81 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 33
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2423.18
LogP ≤ 5	36.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium?

The IUPAC name of [3,5-dimethyl-4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium (CID 157251110) is [3,5-dimethyl-4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium.

What is the SMILES notation for [3,5-dimethyl-4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium?

The canonical SMILES for [3,5-dimethyl-4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium is CC(C)(C)OC(=O)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC1(OC(=O)COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCC1.CC1(Oc2cc([S+](c3ccccc3)c3ccccc3)ccc2F)CCCC1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OC(C)(C)C.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OC1(C)CCCC1.FC(F)(F)Oc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.

What is the InChIKey of [3,5-dimethyl-4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium?

The InChIKey is AWIXVYJKIXGLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31O3S.C26H27O3S.C26H29O3S.C24H24FOS.C24H25O3S.C19H12F3O2S/c1-21-18-25(32(23-12-6-4-7-13-23)24-14-8-5-9-15-24)19-22(2)27(21)30-20-26(29)31-28(3)16-10-11-17-28;1-26(18-8-9-19-26)29-25(27)20-28-21-14-16-24(17-15-21)30(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-19-16-23(17-20(2)25(19)28-18-24(27)29-26(3,4)5)30(21-12-8-6-9-13-21)22-14-10-7-11-15-22;1-24(16-8-9-17-24)26-23-18-21(14-15-22(23)25)27(19-10-4-2-5-11-19)20-12-6-3-7-13-20;1-24(2,3)27-23(25)18-26-19-14-16-22(17-15-19)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21;20-19(21,22)24-13-9-11-14(12-10-13)25-17-7-3-1-5-15(17)23-16-6-2-4-8-18(16)25/h4-9,12-15,18-19H,10-11,16-17,20H2,1-3H3;2-7,10-17H,8-9,18-20H2,1H3;6-17H,18H2,1-5H3;2-7,10-15,18H,8-9,16-17H2,1H3;4-17H,18H2,1-3H3;1-12H/q6*+1.

What are the key properties of [3,5-dimethyl-4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium?

[3,5-dimethyl-4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium has a molecular weight of 2423.18 g/mol, XLogP of 36.73, 33 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [3,5-dimethyl-4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium is sourced from PubChem (CID 157251110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).