2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol

C20H34O8S — CID 159241183

IUPAC2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol
SMILESOCCOCCOCCOCCOCCOCCOCC(O)c1ccc(S)cc1
InChIInChI=1S/C20H34O8S/c21-5-6-23-7-8-24-9-10-25-11-12-26-13-14-27-15-16-28-17-20(22)18-1-3-19(29)4-2-18/h1-4,20-22,29H,5-17H2
InChIKeySNQZZLAQEXKJAR-UHFFFAOYSA-N
MW434.55 g/mol
LogP1.10
Rot. Bonds20

About 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol

2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol (PubChem CID 159241183) has the molecular formula C20H34O8S and a molecular weight of 434.55 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol
PubChem CID159241183
Molecular FormulaC20H34O8S
Molecular Weight434.55 g/mol
Exact Mass434.20
IUPAC Name2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol
SMILESOCCOCCOCCOCCOCCOCCOCC(O)c1ccc(S)cc1
InChIInChI=1S/C20H34O8S/c21-5-6-23-7-8-24-9-10-25-11-12-26-13-14-27-15-16-28-17-20(22)18-1-3-19(29)4-2-18/h1-4,20-22,29H,5-17H2
InChIKeySNQZZLAQEXKJAR-UHFFFAOYSA-N
XLogP1.10
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 123889805
1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol
CID 63685305
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol
CID 61071633
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol
CID 178070711
2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol
CID 104564711
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol
CID 67882501
1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol
CID 43531596
1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol
CID 141188993
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol
CID 87134161
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol (CID 159241183) is 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol is OCCOCCOCCOCCOCCOCCOCC(O)c1ccc(S)cc1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol?
The InChIKey is SNQZZLAQEXKJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O8S/c21-5-6-23-7-8-24-9-10-25-11-12-26-13-14-27-15-16-28-17-20(22)18-1-3-19(29)4-2-18/h1-4,20-22,29H,5-17H2.
What are the key properties of 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol?
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol has a molecular weight of 434.55 g/mol, XLogP of 1.10, 20 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(4-sulfanylphenyl)ethanol is sourced from PubChem (CID 159241183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).