ethoxyethane;phenoxy hydrogen sulfate

C10H16O6S — CID 118022944

IUPACethoxyethane;phenoxy hydrogen sulfate
SMILESCCOCC.O=S(=O)(O)OOc1ccccc1
InChIInChI=1S/C6H6O5S.C4H10O/c7-12(8,9)11-10-6-4-2-1-3-5-6;1-3-5-4-2/h1-5H,(H,7,8,9);3-4H2,1-2H3
InChIKeyWIQUACHIEMBNQP-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.84
Rot. Bonds5

About ethoxyethane;phenoxy hydrogen sulfate

ethoxyethane;phenoxy hydrogen sulfate (PubChem CID 118022944) has the molecular formula C10H16O6S and a molecular weight of 264.30 g/mol. Its IUPAC name is ethoxyethane;phenoxy hydrogen sulfate.

Molecular Properties

Compound Nameethoxyethane;phenoxy hydrogen sulfate
PubChem CID118022944
Molecular FormulaC10H16O6S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Nameethoxyethane;phenoxy hydrogen sulfate
SMILESCCOCC.O=S(=O)(O)OOc1ccccc1
InChIInChI=1S/C6H6O5S.C4H10O/c7-12(8,9)11-10-6-4-2-1-3-5-6;1-3-5-4-2/h1-5H,(H,7,8,9);3-4H2,1-2H3
InChIKeyWIQUACHIEMBNQP-UHFFFAOYSA-N
XLogP1.84
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

ethoxyethane;phenyl hydrogen sulfate;propane-1,2-diol
CID 67300112
ethoxyethane;(2-prop-2-enylphenoxy) hydrogen sulfate
CID 88606889
diphenyl carbonate;ethoxyethane
CID 67230205
ethoxybenzene;ethoxyethane
CID 67764259
ethoxyethane;phenyl hydrogen sulfite
CID 67022432
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
ethane-1,2-diamine;phenyl hydrogen sulfate
CID 70504124
ethene;ethoxyethane;phenol;prop-2-enyl hydrogen sulfate
CID 173424434
3-ethoxy-1-phenylpropane-1-sulfonic acid
CID 88640689
ethoxyethane;1-phenylethenylbenzene
CID 69353422
benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane
CID 67285974
1,1'-biphenyl;ethanol;ethoxyethane
CID 70401504

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;phenoxy hydrogen sulfate?
The IUPAC name of ethoxyethane;phenoxy hydrogen sulfate (CID 118022944) is ethoxyethane;phenoxy hydrogen sulfate.
What is the SMILES notation for ethoxyethane;phenoxy hydrogen sulfate?
The canonical SMILES for ethoxyethane;phenoxy hydrogen sulfate is CCOCC.O=S(=O)(O)OOc1ccccc1.
What is the InChIKey of ethoxyethane;phenoxy hydrogen sulfate?
The InChIKey is WIQUACHIEMBNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O5S.C4H10O/c7-12(8,9)11-10-6-4-2-1-3-5-6;1-3-5-4-2/h1-5H,(H,7,8,9);3-4H2,1-2H3.
What are the key properties of ethoxyethane;phenoxy hydrogen sulfate?
ethoxyethane;phenoxy hydrogen sulfate has a molecular weight of 264.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;phenoxy hydrogen sulfate is sourced from PubChem (CID 118022944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).