2-[4-(ethylarsanylamino)phenyl]ethanol;sulfuric acid

C10H18AsNO5S — CID 173272370

IUPAC2-[4-(ethylarsanylamino)phenyl]ethanol;sulfuric acid
SMILESCC[AsH]Nc1ccc(CCO)cc1.O=S(=O)(O)O
InChIInChI=1S/C10H16AsNO.H2O4S/c1-2-11-12-10-5-3-9(4-6-10)7-8-13;1-5(2,3)4/h3-6,11-13H,2,7-8H2,1H3;(H2,1,2,3,4)
InChIKeyUXSNKAJSPHEKOS-UHFFFAOYSA-N
MW339.25 g/mol
LogP0.77
Rot. Bonds5

About 2-[4-(ethylarsanylamino)phenyl]ethanol;sulfuric acid

2-[4-(ethylarsanylamino)phenyl]ethanol;sulfuric acid (PubChem CID 173272370) has the molecular formula C10H18AsNO5S and a molecular weight of 339.25 g/mol. Its IUPAC name is 2-[4-(ethylarsanylamino)phenyl]ethanol;sulfuric acid.

Molecular Properties

Compound Name2-[4-(ethylarsanylamino)phenyl]ethanol;sulfuric acid
PubChem CID173272370
Molecular FormulaC10H18AsNO5S
Molecular Weight339.25 g/mol
Exact Mass339.01
IUPAC Name2-[4-(ethylarsanylamino)phenyl]ethanol;sulfuric acid
SMILESCC[AsH]Nc1ccc(CCO)cc1.O=S(=O)(O)O
InChIInChI=1S/C10H16AsNO.H2O4S/c1-2-11-12-10-5-3-9(4-6-10)7-8-13;1-5(2,3)4/h3-6,11-13H,2,7-8H2,1H3;(H2,1,2,3,4)
InChIKeyUXSNKAJSPHEKOS-UHFFFAOYSA-N
XLogP0.77
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-[4-(heptan-4-ylamino)phenyl]ethanol
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2-(4-fluorophenyl)ethanol;sulfuric acid;tetrabutylazanium
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N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylarsanylamino)phenyl]ethanol;sulfuric acid?
The IUPAC name of 2-[4-(ethylarsanylamino)phenyl]ethanol;sulfuric acid (CID 173272370) is 2-[4-(ethylarsanylamino)phenyl]ethanol;sulfuric acid.
What is the SMILES notation for 2-[4-(ethylarsanylamino)phenyl]ethanol;sulfuric acid?
The canonical SMILES for 2-[4-(ethylarsanylamino)phenyl]ethanol;sulfuric acid is CC[AsH]Nc1ccc(CCO)cc1.O=S(=O)(O)O.
What is the InChIKey of 2-[4-(ethylarsanylamino)phenyl]ethanol;sulfuric acid?
The InChIKey is UXSNKAJSPHEKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16AsNO.H2O4S/c1-2-11-12-10-5-3-9(4-6-10)7-8-13;1-5(2,3)4/h3-6,11-13H,2,7-8H2,1H3;(H2,1,2,3,4).
What are the key properties of 2-[4-(ethylarsanylamino)phenyl]ethanol;sulfuric acid?
2-[4-(ethylarsanylamino)phenyl]ethanol;sulfuric acid has a molecular weight of 339.25 g/mol, XLogP of 0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylarsanylamino)phenyl]ethanol;sulfuric acid is sourced from PubChem (CID 173272370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).