[hydroxy(phenoxy)phosphoryl]oxidanium

C6H8O4P+ — CID 102269872

IUPAC[hydroxy(phenoxy)phosphoryl]oxidanium
SMILESO=P(O)([OH2+])Oc1ccccc1
InChIInChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)/p+1
InChIKeyCMPQUABWPXYYSH-UHFFFAOYSA-O
MW175.10 g/mol
LogP0.89
Rot. Bonds2

About [hydroxy(phenoxy)phosphoryl]oxidanium

[hydroxy(phenoxy)phosphoryl]oxidanium (PubChem CID 102269872) has the molecular formula C6H8O4P+ and a molecular weight of 175.10 g/mol. Its IUPAC name is [hydroxy(phenoxy)phosphoryl]oxidanium.

Molecular Properties

Compound Name[hydroxy(phenoxy)phosphoryl]oxidanium
PubChem CID102269872
Molecular FormulaC6H8O4P+
Molecular Weight175.10 g/mol
Exact Mass175.02
IUPAC Name[hydroxy(phenoxy)phosphoryl]oxidanium
SMILESO=P(O)([OH2+])Oc1ccccc1
InChIInChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)/p+1
InChIKeyCMPQUABWPXYYSH-UHFFFAOYSA-O
XLogP0.89
TPSA69.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenyl hydrogen phosphate;dihydrate
CID 21115845
CID 131875092
CID 131875092
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
cesium phenyl hydrogen phosphate
CID 175568082
hydroxy phenyl hydrogen phosphate
CID 19103302
chloroform;diphenyl hydrogen phosphate
CID 174899919
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
phenyl (N-phenylanilino) hydrogen phosphate
CID 140553969
methane;phenyl phosphono hydrogen phosphate
CID 88820079

Frequently Asked Questions

What is the IUPAC name of [hydroxy(phenoxy)phosphoryl]oxidanium?
The IUPAC name of [hydroxy(phenoxy)phosphoryl]oxidanium (CID 102269872) is [hydroxy(phenoxy)phosphoryl]oxidanium.
What is the SMILES notation for [hydroxy(phenoxy)phosphoryl]oxidanium?
The canonical SMILES for [hydroxy(phenoxy)phosphoryl]oxidanium is O=P(O)([OH2+])Oc1ccccc1.
What is the InChIKey of [hydroxy(phenoxy)phosphoryl]oxidanium?
The InChIKey is CMPQUABWPXYYSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)/p+1.
What are the key properties of [hydroxy(phenoxy)phosphoryl]oxidanium?
[hydroxy(phenoxy)phosphoryl]oxidanium has a molecular weight of 175.10 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phenoxy)phosphoryl]oxidanium is sourced from PubChem (CID 102269872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).