[2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite

C8H8ClNO4 — CID 151311202

IUPAC[2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite
SMILESO=[N+]([O-])C(CO)c1ccccc1OCl
InChIInChI=1S/C8H8ClNO4/c9-14-8-4-2-1-3-6(8)7(5-11)10(12)13/h1-4,7,11H,5H2
InChIKeyOELWYSWNJUUBQY-UHFFFAOYSA-N
MW217.61 g/mol
LogP1.53
Rot. Bonds4

About [2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite

[2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite (PubChem CID 151311202) has the molecular formula C8H8ClNO4 and a molecular weight of 217.61 g/mol. Its IUPAC name is [2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite.

Molecular Properties

Compound Name[2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite
PubChem CID151311202
Molecular FormulaC8H8ClNO4
Molecular Weight217.61 g/mol
Exact Mass217.01
IUPAC Name[2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite
SMILESO=[N+]([O-])C(CO)c1ccccc1OCl
InChIInChI=1S/C8H8ClNO4/c9-14-8-4-2-1-3-6(8)7(5-11)10(12)13/h1-4,7,11H,5H2
InChIKeyOELWYSWNJUUBQY-UHFFFAOYSA-N
XLogP1.53
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite?
The IUPAC name of [2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite (CID 151311202) is [2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite.
What is the SMILES notation for [2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite?
The canonical SMILES for [2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite is O=[N+]([O-])C(CO)c1ccccc1OCl.
What is the InChIKey of [2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite?
The InChIKey is OELWYSWNJUUBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO4/c9-14-8-4-2-1-3-6(8)7(5-11)10(12)13/h1-4,7,11H,5H2.
What are the key properties of [2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite?
[2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite has a molecular weight of 217.61 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite is sourced from PubChem (CID 151311202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).