4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol

C17H20O8S2 — CID 174715244

IUPAC4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol
SMILESO=S(=O)(CCOCOCCS(=O)(=O)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H20O8S2/c18-14-1-5-16(6-2-14)26(20,21)11-9-24-13-25-10-12-27(22,23)17-7-3-15(19)4-8-17/h1-8,18-19H,9-13H2
InChIKeyMOMLJDXIEKJVPQ-UHFFFAOYSA-N
MW416.47 g/mol
LogP1.34
Rot. Bonds10

About 4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol

4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol (PubChem CID 174715244) has the molecular formula C17H20O8S2 and a molecular weight of 416.47 g/mol. Its IUPAC name is 4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol.

Molecular Properties

Compound Name4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol
PubChem CID174715244
Molecular FormulaC17H20O8S2
Molecular Weight416.47 g/mol
Exact Mass416.06
IUPAC Name4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol
SMILESO=S(=O)(CCOCOCCS(=O)(=O)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H20O8S2/c18-14-1-5-16(6-2-14)26(20,21)11-9-24-13-25-10-12-27(22,23)17-7-3-15(19)4-8-17/h1-8,18-19H,9-13H2
InChIKeyMOMLJDXIEKJVPQ-UHFFFAOYSA-N
XLogP1.34
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-(4-hydroxyphenyl)sulfonylbutoxy]ethylsulfonyl]phenol
CID 174715245
4-pentylsulfonylphenol
CID 67000666
4-(2-nitroethylsulfonyl)phenol
CID 174789289
4-(chloromethylsulfonyl)phenol
CID 12707629
1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
methyl 4-(4-hydroxyphenyl)sulfonylbutanoate
CID 170957892
4-[[4-[(4-hydroxyphenyl)methylsulfonyl]phenyl]sulfonylmethyl]phenol
CID 70503031
4-(2-ethoxyethylsulfonyl)aniline
CID 61368221
4-(4-hydroxyphenyl)sulfonylbutyl prop-2-enoate
CID 19745504
4-[2-(4-methylphenyl)sulfonylethyl]phenol
CID 141218535
1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene
CID 63665436
2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine
CID 94689042

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol?
The IUPAC name of 4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol (CID 174715244) is 4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol.
What is the SMILES notation for 4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol?
The canonical SMILES for 4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol is O=S(=O)(CCOCOCCS(=O)(=O)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol?
The InChIKey is MOMLJDXIEKJVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O8S2/c18-14-1-5-16(6-2-14)26(20,21)11-9-24-13-25-10-12-27(22,23)17-7-3-15(19)4-8-17/h1-8,18-19H,9-13H2.
What are the key properties of 4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol?
4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol has a molecular weight of 416.47 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol is sourced from PubChem (CID 174715244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).