1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one

C127H167NO16S10+8 — CID 159654233

About 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one

1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one (PubChem CID 159654233) has the molecular formula C127H167NO16S10+8 and a molecular weight of 2284.39 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one
• PubChem CID: 159654233
• Molecular Formula: C127H167NO16S10+8
• Molecular Weight: 2284.39 g/mol
• Exact Mass: 2281.94
• IUPAC Name: 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one
• SMILES: CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCOCC1.CC(C)(C(=O)c1ccc(Sc2ccccc2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCN(S(C)(=O)=O)CC1.CC(C)Cc1ccc(C(=O)C(C)[S+]2CCOCC2)cc1.CC[S+](CCO)CC(=O)c1ccccc1.COC(=O)CC[S+](C)CC(=O)c1ccccc1.O=C(C[S+]1CCCC1)c1ccc(O)cc1.O=C(c1ccccc1)C(c1ccccc1)[S+]1CCCC1
• InChI: InChI=1S/C20H29O2S.C20H23OS2.C18H19OS.C17H25O2S.C15H22NO3S2.C13H17O3S.C12H14O2S.C12H17O2S/c1-20(2,23-14-12-22-13-15-23)19(21)18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-20(2,23-14-6-7-15-23)19(21)16-10-12-18(13-11-16)22-17-8-4-3-5-9-17;19-17(15-9-3-1-4-10-15)18(20-13-7-8-14-20)16-11-5-2-6-12-16;1-13(2)12-15-4-6-16(7-5-15)17(18)14(3)20-10-8-19-9-11-20;1-15(2,14(17)13-7-5-4-6-8-13)20-11-9-16(10-12-20)21(3,18)19;1-16-13(15)8-9-17(2)10-12(14)11-6-4-3-5-7-11;13-11-5-3-10(4-6-11)12(14)9-15-7-1-2-8-15;1-2-15(9-8-13)10-12(14)11-6-4-3-5-7-11/h8-11,16H,3-7,12-15H2,1-2H3;3-5,8-13H,6-7,14-15H2,1-2H3;1-6,9-12,18H,7-8,13-14H2;4-7,13-14H,8-12H2,1-3H3;4-8H,9-12H2,1-3H3;3-7H,8-10H2,1-2H3;3-6H,1-2,7-9H2;3-7,13H,2,8-10H2,1H3/q6*+1;;+1/p+1
• InChIKey: MRYXLBZCHVUBGS-UHFFFAOYSA-O
• XLogP: 23.39
• TPSA: 259.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 37
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2284.39
LogP ≤ 5	23.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one?

The IUPAC name of 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one (CID 159654233) is 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one.

What is the SMILES notation for 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one?

The canonical SMILES for 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one is CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCOCC1.CC(C)(C(=O)c1ccc(Sc2ccccc2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCN(S(C)(=O)=O)CC1.CC(C)Cc1ccc(C(=O)C(C)[S+]2CCOCC2)cc1.CC[S+](CCO)CC(=O)c1ccccc1.COC(=O)CC[S+](C)CC(=O)c1ccccc1.O=C(C[S+]1CCCC1)c1ccc(O)cc1.O=C(c1ccccc1)C(c1ccccc1)[S+]1CCCC1.

What is the InChIKey of 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one?

The InChIKey is MRYXLBZCHVUBGS-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H29O2S.C20H23OS2.C18H19OS.C17H25O2S.C15H22NO3S2.C13H17O3S.C12H14O2S.C12H17O2S/c1-20(2,23-14-12-22-13-15-23)19(21)18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-20(2,23-14-6-7-15-23)19(21)16-10-12-18(13-11-16)22-17-8-4-3-5-9-17;19-17(15-9-3-1-4-10-15)18(20-13-7-8-14-20)16-11-5-2-6-12-16;1-13(2)12-15-4-6-16(7-5-15)17(18)14(3)20-10-8-19-9-11-20;1-15(2,14(17)13-7-5-4-6-8-13)20-11-9-16(10-12-20)21(3,18)19;1-16-13(15)8-9-17(2)10-12(14)11-6-4-3-5-7-11;13-11-5-3-10(4-6-11)12(14)9-15-7-1-2-8-15;1-2-15(9-8-13)10-12(14)11-6-4-3-5-7-11/h8-11,16H,3-7,12-15H2,1-2H3;3-5,8-13H,6-7,14-15H2,1-2H3;1-6,9-12,18H,7-8,13-14H2;4-7,13-14H,8-12H2,1-3H3;4-8H,9-12H2,1-3H3;3-7H,8-10H2,1-2H3;3-6H,1-2,7-9H2;3-7,13H,2,8-10H2,1H3/q6*+1;;+1/p+1.

What are the key properties of 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one?

1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one has a molecular weight of 2284.39 g/mol, XLogP of 23.39, 37 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one is sourced from PubChem (CID 159654233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).