4-(2,5-dimethylphenoxy)butane-1-sulfonic acid;2-(2,5-dimethylphenoxy)ethanesulfonic acid;6-(2,5-dimethylphenoxy)hexane-1-sulfonic acid;3-(2,5-dimethylphenoxy)propane-1-sulfonic acid;4-(2,5-dimethylphenyl)butane-1-sulfonic acid;2-(2,5-dimethylphenyl)ethanesulfonic acid;(2,5-dimethylphenyl)methanesulfonic acid;2-(2,5-dimethylphenyl)-2-oxoethanesulfonic acid;6-(2,5-dimethylphenyl)-6-oxohexane-1-sulfonic acid;5-(2,5-dimethylphenyl)-5-oxopentane-1-sulfonic acid;3-(2,5-dimethylphenyl)-3-oxopropane-1-sulfonic acid;3-(2,5-dimethylphenyl)propane-1-sulfonic acid;2-(2,5-dimethylphenyl)sulfonylethanesulfonic acid

C147H208O49S14 — CID 158336741

About 4-(2,5-dimethylphenoxy)butane-1-sulfonic acid;2-(2,5-dimethylphenoxy)ethanesulfonic acid;6-(2,5-dimethylphenoxy)hexane-1-sulfonic acid;3-(2,5-dimethylphenoxy)propane-1-sulfonic acid;4-(2,5-dimethylphenyl)butane-1-sulfonic acid;2-(2,5-dimethylphenyl)ethanesulfonic acid;(2,5-dimethylphenyl)methanesulfonic acid;2-(2,5-dimethylphenyl)-2-oxoethanesulfonic acid;6-(2,5-dimethylphenyl)-6-oxohexane-1-sulfonic acid;5-(2,5-dimethylphenyl)-5-oxopentane-1-sulfonic acid;3-(2,5-dimethylphenyl)-3-oxopropane-1-sulfonic acid;3-(2,5-dimethylphenyl)propane-1-sulfonic acid;2-(2,5-dimethylphenyl)sulfonylethanesulfonic acid

4-(2,5-dimethylphenoxy)butane-1-sulfonic acid;2-(2,5-dimethylphenoxy)ethanesulfonic acid;6-(2,5-dimethylphenoxy)hexane-1-sulfonic acid;3-(2,5-dimethylphenoxy)propane-1-sulfonic acid;4-(2,5-dimethylphenyl)butane-1-sulfonic acid;2-(2,5-dimethylphenyl)ethanesulfonic acid;(2,5-dimethylphenyl)methanesulfonic acid;2-(2,5-dimethylphenyl)-2-oxoethanesulfonic acid;6-(2,5-dimethylphenyl)-6-oxohexane-1-sulfonic acid;5-(2,5-dimethylphenyl)-5-oxopentane-1-sulfonic acid;3-(2,5-dimethylphenyl)-3-oxopropane-1-sulfonic acid;3-(2,5-dimethylphenyl)propane-1-sulfonic acid;2-(2,5-dimethylphenyl)sulfonylethanesulfonic acid (PubChem CID 158336741) has the molecular formula C147H208O49S14 and a molecular weight of 3208.17 g/mol. Its IUPAC name is 4-(2,5-dimethylphenoxy)butane-1-sulfonic acid;2-(2,5-dimethylphenoxy)ethanesulfonic acid;6-(2,5-dimethylphenoxy)hexane-1-sulfonic acid;3-(2,5-dimethylphenoxy)propane-1-sulfonic acid;4-(2,5-dimethylphenyl)butane-1-sulfonic acid;2-(2,5-dimethylphenyl)ethanesulfonic acid;(2,5-dimethylphenyl)methanesulfonic acid;2-(2,5-dimethylphenyl)-2-oxoethanesulfonic acid;6-(2,5-dimethylphenyl)-6-oxohexane-1-sulfonic acid;5-(2,5-dimethylphenyl)-5-oxopentane-1-sulfonic acid;3-(2,5-dimethylphenyl)-3-oxopropane-1-sulfonic acid;3-(2,5-dimethylphenyl)propane-1-sulfonic acid;2-(2,5-dimethylphenyl)sulfonylethanesulfonic acid.

Molecular Properties

• Compound Name: 4-(2,5-dimethylphenoxy)butane-1-sulfonic acid;2-(2,5-dimethylphenoxy)ethanesulfonic acid;6-(2,5-dimethylphenoxy)hexane-1-sulfonic acid;3-(2,5-dimethylphenoxy)propane-1-sulfonic acid;4-(2,5-dimethylphenyl)butane-1-sulfonic acid;2-(2,5-dimethylphenyl)ethanesulfonic acid;(2,5-dimethylphenyl)methanesulfonic acid;2-(2,5-dimethylphenyl)-2-oxoethanesulfonic acid;6-(2,5-dimethylphenyl)-6-oxohexane-1-sulfonic acid;5-(2,5-dimethylphenyl)-5-oxopentane-1-sulfonic acid;3-(2,5-dimethylphenyl)-3-oxopropane-1-sulfonic acid;3-(2,5-dimethylphenyl)propane-1-sulfonic acid;2-(2,5-dimethylphenyl)sulfonylethanesulfonic acid
• PubChem CID: 158336741
• Molecular Formula: C147H208O49S14
• Molecular Weight: 3208.17 g/mol
• Exact Mass: 3204.99
• IUPAC Name: 4-(2,5-dimethylphenoxy)butane-1-sulfonic acid;2-(2,5-dimethylphenoxy)ethanesulfonic acid;6-(2,5-dimethylphenoxy)hexane-1-sulfonic acid;3-(2,5-dimethylphenoxy)propane-1-sulfonic acid;4-(2,5-dimethylphenyl)butane-1-sulfonic acid;2-(2,5-dimethylphenyl)ethanesulfonic acid;(2,5-dimethylphenyl)methanesulfonic acid;2-(2,5-dimethylphenyl)-2-oxoethanesulfonic acid;6-(2,5-dimethylphenyl)-6-oxohexane-1-sulfonic acid;5-(2,5-dimethylphenyl)-5-oxopentane-1-sulfonic acid;3-(2,5-dimethylphenyl)-3-oxopropane-1-sulfonic acid;3-(2,5-dimethylphenyl)propane-1-sulfonic acid;2-(2,5-dimethylphenyl)sulfonylethanesulfonic acid
• SMILES: Cc1ccc(C)c(C(=O)CCCCCS(=O)(=O)O)c1.Cc1ccc(C)c(C(=O)CCCCS(=O)(=O)O)c1.Cc1ccc(C)c(C(=O)CCS(=O)(=O)O)c1.Cc1ccc(C)c(C(=O)CS(=O)(=O)O)c1.Cc1ccc(C)c(CCCCS(=O)(=O)O)c1.Cc1ccc(C)c(CCCS(=O)(=O)O)c1.Cc1ccc(C)c(CCS(=O)(=O)O)c1.Cc1ccc(C)c(CS(=O)(=O)O)c1.Cc1ccc(C)c(OCCCCCCS(=O)(=O)O)c1.Cc1ccc(C)c(OCCCCS(=O)(=O)O)c1.Cc1ccc(C)c(OCCCS(=O)(=O)O)c1.Cc1ccc(C)c(OCCS(=O)(=O)O)c1.Cc1ccc(C)c(S(=O)(=O)CCS(=O)(=O)O)c1
• InChI: InChI=1S/C14H20O4S.C14H22O4S.C13H18O4S.C12H18O4S.C12H18O3S.C11H16O4S.C11H14O4S.C11H16O3S.C10H14O5S2.C10H12O4S.C10H14O4S.C10H14O3S.C9H12O3S/c1-11-7-8-12(2)13(10-11)14(15)6-4-3-5-9-19(16,17)18;1-12-7-8-13(2)14(11-12)18-9-5-3-4-6-10-19(15,16)17;1-10-6-7-11(2)12(9-10)13(14)5-3-4-8-18(15,16)17;1-10-5-6-11(2)12(9-10)16-7-3-4-8-17(13,14)15;1-10-6-7-11(2)12(9-10)5-3-4-8-16(13,14)15;1-9-4-5-10(2)11(8-9)15-6-3-7-16(12,13)14;1-8-3-4-9(2)10(7-8)11(12)5-6-16(13,14)15;1-9-5-6-10(2)11(8-9)4-3-7-15(12,13)14;1-8-3-4-9(2)10(7-8)16(11,12)5-6-17(13,14)15;1-7-3-4-8(2)9(5-7)10(11)6-15(12,13)14;1-8-3-4-9(2)10(7-8)14-5-6-15(11,12)13;1-8-3-4-9(2)10(7-8)5-6-14(11,12)13;1-7-3-4-8(2)9(5-7)6-13(10,11)12/h7-8,10H,3-6,9H2,1-2H3,(H,16,17,18);7-8,11H,3-6,9-10H2,1-2H3,(H,15,16,17);6-7,9H,3-5,8H2,1-2H3,(H,15,16,17);5-6,9H,3-4,7-8H2,1-2H3,(H,13,14,15);6-7,9H,3-5,8H2,1-2H3,(H,13,14,15);4-5,8H,3,6-7H2,1-2H3,(H,12,13,14);3-4,7H,5-6H2,1-2H3,(H,13,14,15);5-6,8H,3-4,7H2,1-2H3,(H,12,13,14);3-4,7H,5-6H2,1-2H3,(H,13,14,15);3-5H,6H2,1-2H3,(H,12,13,14);3-4,7H,5-6H2,1-2H3,(H,11,12,13);3-4,7H,5-6H2,1-2H3,(H,11,12,13);3-5H,6H2,1-2H3,(H,10,11,12)
• InChIKey: GQRCIHHATMQYAH-UHFFFAOYSA-N
• XLogP: 26.66
• TPSA: 846.15 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 36
• Rotatable Bonds: 61
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3208.17
LogP ≤ 5	26.66
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenoxy)butane-1-sulfonic acid;2-(2,5-dimethylphenoxy)ethanesulfonic acid;6-(2,5-dimethylphenoxy)hexane-1-sulfonic acid;3-(2,5-dimethylphenoxy)propane-1-sulfonic acid;4-(2,5-dimethylphenyl)butane-1-sulfonic acid;2-(2,5-dimethylphenyl)ethanesulfonic acid;(2,5-dimethylphenyl)methanesulfonic acid;2-(2,5-dimethylphenyl)-2-oxoethanesulfonic acid;6-(2,5-dimethylphenyl)-6-oxohexane-1-sulfonic acid;5-(2,5-dimethylphenyl)-5-oxopentane-1-sulfonic acid;3-(2,5-dimethylphenyl)-3-oxopropane-1-sulfonic acid;3-(2,5-dimethylphenyl)propane-1-sulfonic acid;2-(2,5-dimethylphenyl)sulfonylethanesulfonic acid?

The IUPAC name of 4-(2,5-dimethylphenoxy)butane-1-sulfonic acid;2-(2,5-dimethylphenoxy)ethanesulfonic acid;6-(2,5-dimethylphenoxy)hexane-1-sulfonic acid;3-(2,5-dimethylphenoxy)propane-1-sulfonic acid;4-(2,5-dimethylphenyl)butane-1-sulfonic acid;2-(2,5-dimethylphenyl)ethanesulfonic acid;(2,5-dimethylphenyl)methanesulfonic acid;2-(2,5-dimethylphenyl)-2-oxoethanesulfonic acid;6-(2,5-dimethylphenyl)-6-oxohexane-1-sulfonic acid;5-(2,5-dimethylphenyl)-5-oxopentane-1-sulfonic acid;3-(2,5-dimethylphenyl)-3-oxopropane-1-sulfonic acid;3-(2,5-dimethylphenyl)propane-1-sulfonic acid;2-(2,5-dimethylphenyl)sulfonylethanesulfonic acid (CID 158336741) is 4-(2,5-dimethylphenoxy)butane-1-sulfonic acid;2-(2,5-dimethylphenoxy)ethanesulfonic acid;6-(2,5-dimethylphenoxy)hexane-1-sulfonic acid;3-(2,5-dimethylphenoxy)propane-1-sulfonic acid;4-(2,5-dimethylphenyl)butane-1-sulfonic acid;2-(2,5-dimethylphenyl)ethanesulfonic acid;(2,5-dimethylphenyl)methanesulfonic acid;2-(2,5-dimethylphenyl)-2-oxoethanesulfonic acid;6-(2,5-dimethylphenyl)-6-oxohexane-1-sulfonic acid;5-(2,5-dimethylphenyl)-5-oxopentane-1-sulfonic acid;3-(2,5-dimethylphenyl)-3-oxopropane-1-sulfonic acid;3-(2,5-dimethylphenyl)propane-1-sulfonic acid;2-(2,5-dimethylphenyl)sulfonylethanesulfonic acid.

What is the SMILES notation for 4-(2,5-dimethylphenoxy)butane-1-sulfonic acid;2-(2,5-dimethylphenoxy)ethanesulfonic acid;6-(2,5-dimethylphenoxy)hexane-1-sulfonic acid;3-(2,5-dimethylphenoxy)propane-1-sulfonic acid;4-(2,5-dimethylphenyl)butane-1-sulfonic acid;2-(2,5-dimethylphenyl)ethanesulfonic acid;(2,5-dimethylphenyl)methanesulfonic acid;2-(2,5-dimethylphenyl)-2-oxoethanesulfonic acid;6-(2,5-dimethylphenyl)-6-oxohexane-1-sulfonic acid;5-(2,5-dimethylphenyl)-5-oxopentane-1-sulfonic acid;3-(2,5-dimethylphenyl)-3-oxopropane-1-sulfonic acid;3-(2,5-dimethylphenyl)propane-1-sulfonic acid;2-(2,5-dimethylphenyl)sulfonylethanesulfonic acid?

The canonical SMILES for 4-(2,5-dimethylphenoxy)butane-1-sulfonic acid;2-(2,5-dimethylphenoxy)ethanesulfonic acid;6-(2,5-dimethylphenoxy)hexane-1-sulfonic acid;3-(2,5-dimethylphenoxy)propane-1-sulfonic acid;4-(2,5-dimethylphenyl)butane-1-sulfonic acid;2-(2,5-dimethylphenyl)ethanesulfonic acid;(2,5-dimethylphenyl)methanesulfonic acid;2-(2,5-dimethylphenyl)-2-oxoethanesulfonic acid;6-(2,5-dimethylphenyl)-6-oxohexane-1-sulfonic acid;5-(2,5-dimethylphenyl)-5-oxopentane-1-sulfonic acid;3-(2,5-dimethylphenyl)-3-oxopropane-1-sulfonic acid;3-(2,5-dimethylphenyl)propane-1-sulfonic acid;2-(2,5-dimethylphenyl)sulfonylethanesulfonic acid is Cc1ccc(C)c(C(=O)CCCCCS(=O)(=O)O)c1.Cc1ccc(C)c(C(=O)CCCCS(=O)(=O)O)c1.Cc1ccc(C)c(C(=O)CCS(=O)(=O)O)c1.Cc1ccc(C)c(C(=O)CS(=O)(=O)O)c1.Cc1ccc(C)c(CCCCS(=O)(=O)O)c1.Cc1ccc(C)c(CCCS(=O)(=O)O)c1.Cc1ccc(C)c(CCS(=O)(=O)O)c1.Cc1ccc(C)c(CS(=O)(=O)O)c1.Cc1ccc(C)c(OCCCCCCS(=O)(=O)O)c1.Cc1ccc(C)c(OCCCCS(=O)(=O)O)c1.Cc1ccc(C)c(OCCCS(=O)(=O)O)c1.Cc1ccc(C)c(OCCS(=O)(=O)O)c1.Cc1ccc(C)c(S(=O)(=O)CCS(=O)(=O)O)c1.

What is the InChIKey of 4-(2,5-dimethylphenoxy)butane-1-sulfonic acid;2-(2,5-dimethylphenoxy)ethanesulfonic acid;6-(2,5-dimethylphenoxy)hexane-1-sulfonic acid;3-(2,5-dimethylphenoxy)propane-1-sulfonic acid;4-(2,5-dimethylphenyl)butane-1-sulfonic acid;2-(2,5-dimethylphenyl)ethanesulfonic acid;(2,5-dimethylphenyl)methanesulfonic acid;2-(2,5-dimethylphenyl)-2-oxoethanesulfonic acid;6-(2,5-dimethylphenyl)-6-oxohexane-1-sulfonic acid;5-(2,5-dimethylphenyl)-5-oxopentane-1-sulfonic acid;3-(2,5-dimethylphenyl)-3-oxopropane-1-sulfonic acid;3-(2,5-dimethylphenyl)propane-1-sulfonic acid;2-(2,5-dimethylphenyl)sulfonylethanesulfonic acid?

The InChIKey is GQRCIHHATMQYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4S.C14H22O4S.C13H18O4S.C12H18O4S.C12H18O3S.C11H16O4S.C11H14O4S.C11H16O3S.C10H14O5S2.C10H12O4S.C10H14O4S.C10H14O3S.C9H12O3S/c1-11-7-8-12(2)13(10-11)14(15)6-4-3-5-9-19(16,17)18;1-12-7-8-13(2)14(11-12)18-9-5-3-4-6-10-19(15,16)17;1-10-6-7-11(2)12(9-10)13(14)5-3-4-8-18(15,16)17;1-10-5-6-11(2)12(9-10)16-7-3-4-8-17(13,14)15;1-10-6-7-11(2)12(9-10)5-3-4-8-16(13,14)15;1-9-4-5-10(2)11(8-9)15-6-3-7-16(12,13)14;1-8-3-4-9(2)10(7-8)11(12)5-6-16(13,14)15;1-9-5-6-10(2)11(8-9)4-3-7-15(12,13)14;1-8-3-4-9(2)10(7-8)16(11,12)5-6-17(13,14)15;1-7-3-4-8(2)9(5-7)10(11)6-15(12,13)14;1-8-3-4-9(2)10(7-8)14-5-6-15(11,12)13;1-8-3-4-9(2)10(7-8)5-6-14(11,12)13;1-7-3-4-8(2)9(5-7)6-13(10,11)12/h7-8,10H,3-6,9H2,1-2H3,(H,16,17,18);7-8,11H,3-6,9-10H2,1-2H3,(H,15,16,17);6-7,9H,3-5,8H2,1-2H3,(H,15,16,17);5-6,9H,3-4,7-8H2,1-2H3,(H,13,14,15);6-7,9H,3-5,8H2,1-2H3,(H,13,14,15);4-5,8H,3,6-7H2,1-2H3,(H,12,13,14);3-4,7H,5-6H2,1-2H3,(H,13,14,15);5-6,8H,3-4,7H2,1-2H3,(H,12,13,14);3-4,7H,5-6H2,1-2H3,(H,13,14,15);3-5H,6H2,1-2H3,(H,12,13,14);3-4,7H,5-6H2,1-2H3,(H,11,12,13);3-4,7H,5-6H2,1-2H3,(H,11,12,13);3-5H,6H2,1-2H3,(H,10,11,12).

What are the key properties of 4-(2,5-dimethylphenoxy)butane-1-sulfonic acid;2-(2,5-dimethylphenoxy)ethanesulfonic acid;6-(2,5-dimethylphenoxy)hexane-1-sulfonic acid;3-(2,5-dimethylphenoxy)propane-1-sulfonic acid;4-(2,5-dimethylphenyl)butane-1-sulfonic acid;2-(2,5-dimethylphenyl)ethanesulfonic acid;(2,5-dimethylphenyl)methanesulfonic acid;2-(2,5-dimethylphenyl)-2-oxoethanesulfonic acid;6-(2,5-dimethylphenyl)-6-oxohexane-1-sulfonic acid;5-(2,5-dimethylphenyl)-5-oxopentane-1-sulfonic acid;3-(2,5-dimethylphenyl)-3-oxopropane-1-sulfonic acid;3-(2,5-dimethylphenyl)propane-1-sulfonic acid;2-(2,5-dimethylphenyl)sulfonylethanesulfonic acid?

4-(2,5-dimethylphenoxy)butane-1-sulfonic acid;2-(2,5-dimethylphenoxy)ethanesulfonic acid;6-(2,5-dimethylphenoxy)hexane-1-sulfonic acid;3-(2,5-dimethylphenoxy)propane-1-sulfonic acid;4-(2,5-dimethylphenyl)butane-1-sulfonic acid;2-(2,5-dimethylphenyl)ethanesulfonic acid;(2,5-dimethylphenyl)methanesulfonic acid;2-(2,5-dimethylphenyl)-2-oxoethanesulfonic acid;6-(2,5-dimethylphenyl)-6-oxohexane-1-sulfonic acid;5-(2,5-dimethylphenyl)-5-oxopentane-1-sulfonic acid;3-(2,5-dimethylphenyl)-3-oxopropane-1-sulfonic acid;3-(2,5-dimethylphenyl)propane-1-sulfonic acid;2-(2,5-dimethylphenyl)sulfonylethanesulfonic acid has a molecular weight of 3208.17 g/mol, XLogP of 26.66, 61 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,5-dimethylphenoxy)butane-1-sulfonic acid;2-(2,5-dimethylphenoxy)ethanesulfonic acid;6-(2,5-dimethylphenoxy)hexane-1-sulfonic acid;3-(2,5-dimethylphenoxy)propane-1-sulfonic acid;4-(2,5-dimethylphenyl)butane-1-sulfonic acid;2-(2,5-dimethylphenyl)ethanesulfonic acid;(2,5-dimethylphenyl)methanesulfonic acid;2-(2,5-dimethylphenyl)-2-oxoethanesulfonic acid;6-(2,5-dimethylphenyl)-6-oxohexane-1-sulfonic acid;5-(2,5-dimethylphenyl)-5-oxopentane-1-sulfonic acid;3-(2,5-dimethylphenyl)-3-oxopropane-1-sulfonic acid;3-(2,5-dimethylphenyl)propane-1-sulfonic acid;2-(2,5-dimethylphenyl)sulfonylethanesulfonic acid is sourced from PubChem (CID 158336741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).