2-[2-(2-hydroxyethoxy)ethoxy]-1,2-bis-(4-methylphenyl)sulfonylethanol

C20H26O8S2 — CID 66764148

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]-1,2-bis-(4-methylphenyl)sulfonylethanol
SMILESCc1ccc(S(=O)(=O)C(O)C(OCCOCCO)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H26O8S2/c1-15-3-7-17(8-4-15)29(23,24)19(22)20(28-14-13-27-12-11-21)30(25,26)18-9-5-16(2)6-10-18/h3-10,19-22H,11-14H2,1-2H3
InChIKeyINPUILGYWQWHMP-UHFFFAOYSA-N
MW458.55 g/mol
LogP1.22
Rot. Bonds11

About 2-[2-(2-hydroxyethoxy)ethoxy]-1,2-bis-(4-methylphenyl)sulfonylethanol

2-[2-(2-hydroxyethoxy)ethoxy]-1,2-bis-(4-methylphenyl)sulfonylethanol (PubChem CID 66764148) has the molecular formula C20H26O8S2 and a molecular weight of 458.55 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]-1,2-bis-(4-methylphenyl)sulfonylethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]-1,2-bis-(4-methylphenyl)sulfonylethanol
PubChem CID66764148
Molecular FormulaC20H26O8S2
Molecular Weight458.55 g/mol
Exact Mass458.11
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]-1,2-bis-(4-methylphenyl)sulfonylethanol
SMILESCc1ccc(S(=O)(=O)C(O)C(OCCOCCO)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H26O8S2/c1-15-3-7-17(8-4-15)29(23,24)19(22)20(28-14-13-27-12-11-21)30(25,26)18-9-5-16(2)6-10-18/h3-10,19-22H,11-14H2,1-2H3
InChIKeyINPUILGYWQWHMP-UHFFFAOYSA-N
XLogP1.22
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-1,2-bis-(4-methylphenyl)sulfonylethanol?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-1,2-bis-(4-methylphenyl)sulfonylethanol (CID 66764148) is 2-[2-(2-hydroxyethoxy)ethoxy]-1,2-bis-(4-methylphenyl)sulfonylethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]-1,2-bis-(4-methylphenyl)sulfonylethanol?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]-1,2-bis-(4-methylphenyl)sulfonylethanol is Cc1ccc(S(=O)(=O)C(O)C(OCCOCCO)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]-1,2-bis-(4-methylphenyl)sulfonylethanol?
The InChIKey is INPUILGYWQWHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O8S2/c1-15-3-7-17(8-4-15)29(23,24)19(22)20(28-14-13-27-12-11-21)30(25,26)18-9-5-16(2)6-10-18/h3-10,19-22H,11-14H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]-1,2-bis-(4-methylphenyl)sulfonylethanol?
2-[2-(2-hydroxyethoxy)ethoxy]-1,2-bis-(4-methylphenyl)sulfonylethanol has a molecular weight of 458.55 g/mol, XLogP of 1.22, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]-1,2-bis-(4-methylphenyl)sulfonylethanol is sourced from PubChem (CID 66764148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).