[4-(4-acetyloxyphenyl)sulfonylphenyl] acetate;tert-butyl [4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfonylphenyl] carbonate;2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol;1-(1-methoxyethoxy)-4-[4-(1-methoxyethoxy)phenyl]sulfonylbenzene;1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene

C90H98O30S5 — CID 160959040

About [4-(4-acetyloxyphenyl)sulfonylphenyl] acetate;tert-butyl [4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfonylphenyl] carbonate;2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol;1-(1-methoxyethoxy)-4-[4-(1-methoxyethoxy)phenyl]sulfonylbenzene;1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene

[4-(4-acetyloxyphenyl)sulfonylphenyl] acetate;tert-butyl [4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfonylphenyl] carbonate;2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol;1-(1-methoxyethoxy)-4-[4-(1-methoxyethoxy)phenyl]sulfonylbenzene;1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene (PubChem CID 160959040) has the molecular formula C90H98O30S5 and a molecular weight of 1820.08 g/mol. Its IUPAC name is [4-(4-acetyloxyphenyl)sulfonylphenyl] acetate;tert-butyl [4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfonylphenyl] carbonate;2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol;1-(1-methoxyethoxy)-4-[4-(1-methoxyethoxy)phenyl]sulfonylbenzene;1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene.

Molecular Properties

• Compound Name: [4-(4-acetyloxyphenyl)sulfonylphenyl] acetate;tert-butyl [4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfonylphenyl] carbonate;2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol;1-(1-methoxyethoxy)-4-[4-(1-methoxyethoxy)phenyl]sulfonylbenzene;1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene
• PubChem CID: 160959040
• Molecular Formula: C90H98O30S5
• Molecular Weight: 1820.08 g/mol
• Exact Mass: 1818.47
• IUPAC Name: [4-(4-acetyloxyphenyl)sulfonylphenyl] acetate;tert-butyl [4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfonylphenyl] carbonate;2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol;1-(1-methoxyethoxy)-4-[4-(1-methoxyethoxy)phenyl]sulfonylbenzene;1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene
• SMILES: C=CCOc1ccc(S(=O)(=O)c2ccc(OCC=C)cc2)cc1.CC(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(C)=O)cc2)cc1.CC(C)(C)OC(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)OC(C)(C)C)cc2)cc1.COC(C)Oc1ccc(S(=O)(=O)c2ccc(OC(C)OC)cc2)cc1.O=S(=O)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1
• InChI: InChI=1S/C22H26O8S.C18H22O6S.C18H18O4S.C16H14O6S.C16H18O6S/c1-21(2,3)29-19(23)27-15-7-11-17(12-8-15)31(25,26)18-13-9-16(10-14-18)28-20(24)30-22(4,5)6;1-13(21-3)23-15-5-9-17(10-6-15)25(19,20)18-11-7-16(8-12-18)24-14(2)22-4;1-3-13-21-15-5-9-17(10-6-15)23(19,20)18-11-7-16(8-12-18)22-14-4-2;1-11(17)21-13-3-7-15(8-4-13)23(19,20)16-9-5-14(6-10-16)22-12(2)18;17-9-11-21-13-1-5-15(6-2-13)23(19,20)16-7-3-14(4-8-16)22-12-10-18/h7-14H,1-6H3;5-14H,1-4H3;3-12H,1-2,13-14H2;3-10H,1-2H3;1-8,17-18H,9-12H2
• InChIKey: SWTVJDUCGBSBKA-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 408.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1820.08
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(4-acetyloxyphenyl)sulfonylphenyl] acetate;tert-butyl [4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfonylphenyl] carbonate;2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol;1-(1-methoxyethoxy)-4-[4-(1-methoxyethoxy)phenyl]sulfonylbenzene;1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene?

The IUPAC name of [4-(4-acetyloxyphenyl)sulfonylphenyl] acetate;tert-butyl [4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfonylphenyl] carbonate;2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol;1-(1-methoxyethoxy)-4-[4-(1-methoxyethoxy)phenyl]sulfonylbenzene;1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene (CID 160959040) is [4-(4-acetyloxyphenyl)sulfonylphenyl] acetate;tert-butyl [4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfonylphenyl] carbonate;2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol;1-(1-methoxyethoxy)-4-[4-(1-methoxyethoxy)phenyl]sulfonylbenzene;1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene.

What is the SMILES notation for [4-(4-acetyloxyphenyl)sulfonylphenyl] acetate;tert-butyl [4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfonylphenyl] carbonate;2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol;1-(1-methoxyethoxy)-4-[4-(1-methoxyethoxy)phenyl]sulfonylbenzene;1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene?

The canonical SMILES for [4-(4-acetyloxyphenyl)sulfonylphenyl] acetate;tert-butyl [4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfonylphenyl] carbonate;2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol;1-(1-methoxyethoxy)-4-[4-(1-methoxyethoxy)phenyl]sulfonylbenzene;1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene is C=CCOc1ccc(S(=O)(=O)c2ccc(OCC=C)cc2)cc1.CC(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(C)=O)cc2)cc1.CC(C)(C)OC(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)OC(C)(C)C)cc2)cc1.COC(C)Oc1ccc(S(=O)(=O)c2ccc(OC(C)OC)cc2)cc1.O=S(=O)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1.

What is the InChIKey of [4-(4-acetyloxyphenyl)sulfonylphenyl] acetate;tert-butyl [4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfonylphenyl] carbonate;2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol;1-(1-methoxyethoxy)-4-[4-(1-methoxyethoxy)phenyl]sulfonylbenzene;1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene?

The InChIKey is SWTVJDUCGBSBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O8S.C18H22O6S.C18H18O4S.C16H14O6S.C16H18O6S/c1-21(2,3)29-19(23)27-15-7-11-17(12-8-15)31(25,26)18-13-9-16(10-14-18)28-20(24)30-22(4,5)6;1-13(21-3)23-15-5-9-17(10-6-15)25(19,20)18-11-7-16(8-12-18)24-14(2)22-4;1-3-13-21-15-5-9-17(10-6-15)23(19,20)18-11-7-16(8-12-18)22-14-4-2;1-11(17)21-13-3-7-15(8-4-13)23(19,20)16-9-5-14(6-10-16)22-12(2)18;17-9-11-21-13-1-5-15(6-2-13)23(19,20)16-7-3-14(4-8-16)22-12-10-18/h7-14H,1-6H3;5-14H,1-4H3;3-12H,1-2,13-14H2;3-10H,1-2H3;1-8,17-18H,9-12H2.

What are the key properties of [4-(4-acetyloxyphenyl)sulfonylphenyl] acetate;tert-butyl [4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfonylphenyl] carbonate;2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol;1-(1-methoxyethoxy)-4-[4-(1-methoxyethoxy)phenyl]sulfonylbenzene;1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene?

[4-(4-acetyloxyphenyl)sulfonylphenyl] acetate;tert-butyl [4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfonylphenyl] carbonate;2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol;1-(1-methoxyethoxy)-4-[4-(1-methoxyethoxy)phenyl]sulfonylbenzene;1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene has a molecular weight of 1820.08 g/mol, XLogP of 15.69, 32 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-acetyloxyphenyl)sulfonylphenyl] acetate;tert-butyl [4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfonylphenyl] carbonate;2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol;1-(1-methoxyethoxy)-4-[4-(1-methoxyethoxy)phenyl]sulfonylbenzene;1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene is sourced from PubChem (CID 160959040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).