disodium;hydride;2-(4-hydroxyphenoxy)ethanesulfonic acid

C8H12Na2O5S — CID 173430756

IUPACdisodium;hydride;2-(4-hydroxyphenoxy)ethanesulfonic acid
SMILESO=S(=O)(O)CCOc1ccc(O)cc1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C8H10O5S.2Na.2H/c9-7-1-3-8(4-2-7)13-5-6-14(10,11)12;;;;/h1-4,9H,5-6H2,(H,10,11,12);;;;/q;2*+1;2*-1
InChIKeyFHFMNZRURUQEMD-UHFFFAOYSA-N
MW266.23 g/mol
LogP-5.11
Rot. Bonds4

About disodium;hydride;2-(4-hydroxyphenoxy)ethanesulfonic acid

disodium;hydride;2-(4-hydroxyphenoxy)ethanesulfonic acid (PubChem CID 173430756) has the molecular formula C8H12Na2O5S and a molecular weight of 266.23 g/mol. Its IUPAC name is disodium;hydride;2-(4-hydroxyphenoxy)ethanesulfonic acid.

Molecular Properties

Compound Namedisodium;hydride;2-(4-hydroxyphenoxy)ethanesulfonic acid
PubChem CID173430756
Molecular FormulaC8H12Na2O5S
Molecular Weight266.23 g/mol
Exact Mass266.02
IUPAC Namedisodium;hydride;2-(4-hydroxyphenoxy)ethanesulfonic acid
SMILESO=S(=O)(O)CCOc1ccc(O)cc1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C8H10O5S.2Na.2H/c9-7-1-3-8(4-2-7)13-5-6-14(10,11)12;;;;/h1-4,9H,5-6H2,(H,10,11,12);;;;/q;2*+1;2*-1
InChIKeyFHFMNZRURUQEMD-UHFFFAOYSA-N
XLogP-5.11
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 5-5.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;2-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]ethanesulfonic acid
CID 173434374
sodium;hydride;4-(4-methoxyphenoxy)butane-1-sulfonic acid
CID 173443474
2-[3-hydroxy-4-(2-hydroxyacetyl)phenoxy]ethanesulfonic acid
CID 56989048
2-[9,10-dioxo-6-(2-sulfoethoxy)anthracen-2-yl]oxyethanesulfonic acid
CID 142419389
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
ethane;3-(4-methylphenoxy)propane-1-sulfonic acid
CID 144670008
4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol
CID 22020843
4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenol
CID 71105889
4-(4-heptoxyphenoxy)butane-1-sulfonic acid
CID 58983762
2-[4-[2-[2-[2-[2-[2-[4-(2-sulfoethylsulfonyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]sulfonylethanesulfonic acid
CID 122471101
10-phenoxydecane-1-sulfonic acid
CID 58984193
3-[4-[4-(6-hydroxyhexoxy)phenyl]phenoxy]propane-1-sulfonic acid
CID 58983737

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;2-(4-hydroxyphenoxy)ethanesulfonic acid?
The IUPAC name of disodium;hydride;2-(4-hydroxyphenoxy)ethanesulfonic acid (CID 173430756) is disodium;hydride;2-(4-hydroxyphenoxy)ethanesulfonic acid.
What is the SMILES notation for disodium;hydride;2-(4-hydroxyphenoxy)ethanesulfonic acid?
The canonical SMILES for disodium;hydride;2-(4-hydroxyphenoxy)ethanesulfonic acid is O=S(=O)(O)CCOc1ccc(O)cc1.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;2-(4-hydroxyphenoxy)ethanesulfonic acid?
The InChIKey is FHFMNZRURUQEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5S.2Na.2H/c9-7-1-3-8(4-2-7)13-5-6-14(10,11)12;;;;/h1-4,9H,5-6H2,(H,10,11,12);;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;2-(4-hydroxyphenoxy)ethanesulfonic acid?
disodium;hydride;2-(4-hydroxyphenoxy)ethanesulfonic acid has a molecular weight of 266.23 g/mol, XLogP of -5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;2-(4-hydroxyphenoxy)ethanesulfonic acid is sourced from PubChem (CID 173430756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).