2-(2-ethenylphenoxy)ethyl hydrogen sulfate

C10H12O5S — CID 156674552

IUPAC2-(2-ethenylphenoxy)ethyl hydrogen sulfate
SMILESC=Cc1ccccc1OCCOS(=O)(=O)O
InChIInChI=1S/C10H12O5S/c1-2-9-5-3-4-6-10(9)14-7-8-15-16(11,12)13/h2-6H,1,7-8H2,(H,11,12,13)
InChIKeyHIIZYRSUEDOKEW-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.53
Rot. Bonds6

About 2-(2-ethenylphenoxy)ethyl hydrogen sulfate

2-(2-ethenylphenoxy)ethyl hydrogen sulfate (PubChem CID 156674552) has the molecular formula C10H12O5S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(2-ethenylphenoxy)ethyl hydrogen sulfate.

Molecular Properties

Compound Name2-(2-ethenylphenoxy)ethyl hydrogen sulfate
PubChem CID156674552
Molecular FormulaC10H12O5S
Molecular Weight244.27 g/mol
Exact Mass244.04
IUPAC Name2-(2-ethenylphenoxy)ethyl hydrogen sulfate
SMILESC=Cc1ccccc1OCCOS(=O)(=O)O
InChIInChI=1S/C10H12O5S/c1-2-9-5-3-4-6-10(9)14-7-8-15-16(11,12)13/h2-6H,1,7-8H2,(H,11,12,13)
InChIKeyHIIZYRSUEDOKEW-UHFFFAOYSA-N
XLogP1.53
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethenylphenoxy)butan-1-ol
CID 101029392
CID 19763871
CID 19763871
1-ethenyl-2-heptadecoxybenzene
CID 139672731
1-ethenyl-2-(2-methylpropoxy)benzene
CID 22475776
3-(2-formylphenoxy)propane-1-sulfonic acid
CID 14946404
1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 174952224
sodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate
CID 173325044
2-ethenylbenzenesulfonic acid
CID 161490655
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid
CID 174842663
lithium;2-ethenylbenzenesulfonic acid;hydride
CID 173052957
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenylphenoxy)ethyl hydrogen sulfate?
The IUPAC name of 2-(2-ethenylphenoxy)ethyl hydrogen sulfate (CID 156674552) is 2-(2-ethenylphenoxy)ethyl hydrogen sulfate.
What is the SMILES notation for 2-(2-ethenylphenoxy)ethyl hydrogen sulfate?
The canonical SMILES for 2-(2-ethenylphenoxy)ethyl hydrogen sulfate is C=Cc1ccccc1OCCOS(=O)(=O)O.
What is the InChIKey of 2-(2-ethenylphenoxy)ethyl hydrogen sulfate?
The InChIKey is HIIZYRSUEDOKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5S/c1-2-9-5-3-4-6-10(9)14-7-8-15-16(11,12)13/h2-6H,1,7-8H2,(H,11,12,13).
What are the key properties of 2-(2-ethenylphenoxy)ethyl hydrogen sulfate?
2-(2-ethenylphenoxy)ethyl hydrogen sulfate has a molecular weight of 244.27 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylphenoxy)ethyl hydrogen sulfate is sourced from PubChem (CID 156674552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).