(4-azaniumylphenyl)-hydroxyphosphinate

C6H8NO3P — CID 139083046

IUPAC(4-azaniumylphenyl)-hydroxyphosphinate
SMILES[NH3+]c1ccc(P(=O)([O-])O)cc1
InChIInChI=1S/C6H8NO3P/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
InChIKeyOAOBMEMWHJWPNA-UHFFFAOYSA-N
MW173.11 g/mol
LogP-1.27
Rot. Bonds1

About (4-azaniumylphenyl)-hydroxyphosphinate

(4-azaniumylphenyl)-hydroxyphosphinate (PubChem CID 139083046) has the molecular formula C6H8NO3P and a molecular weight of 173.11 g/mol. Its IUPAC name is (4-azaniumylphenyl)-hydroxyphosphinate.

Molecular Properties

Compound Name(4-azaniumylphenyl)-hydroxyphosphinate
PubChem CID139083046
Molecular FormulaC6H8NO3P
Molecular Weight173.11 g/mol
Exact Mass173.02
IUPAC Name(4-azaniumylphenyl)-hydroxyphosphinate
SMILES[NH3+]c1ccc(P(=O)([O-])O)cc1
InChIInChI=1S/C6H8NO3P/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
InChIKeyOAOBMEMWHJWPNA-UHFFFAOYSA-N
XLogP-1.27
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.11
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-azaniumylphenyl)-hydroxyphosphinate?
The IUPAC name of (4-azaniumylphenyl)-hydroxyphosphinate (CID 139083046) is (4-azaniumylphenyl)-hydroxyphosphinate.
What is the SMILES notation for (4-azaniumylphenyl)-hydroxyphosphinate?
The canonical SMILES for (4-azaniumylphenyl)-hydroxyphosphinate is [NH3+]c1ccc(P(=O)([O-])O)cc1.
What is the InChIKey of (4-azaniumylphenyl)-hydroxyphosphinate?
The InChIKey is OAOBMEMWHJWPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO3P/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10).
What are the key properties of (4-azaniumylphenyl)-hydroxyphosphinate?
(4-azaniumylphenyl)-hydroxyphosphinate has a molecular weight of 173.11 g/mol, XLogP of -1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azaniumylphenyl)-hydroxyphosphinate is sourced from PubChem (CID 139083046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).