2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid

C8H9O5P — CID 67659805

IUPAC2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid
SMILESO=C(O)COP(O)Oc1ccccc1
InChIInChI=1S/C8H9O5P/c9-8(10)6-12-14(11)13-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
InChIKeyCPGDJRYUZAYJRI-UHFFFAOYSA-N
MW216.13 g/mol
LogP1.39
Rot. Bonds5

About 2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid

2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid (PubChem CID 67659805) has the molecular formula C8H9O5P and a molecular weight of 216.13 g/mol. Its IUPAC name is 2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid.

Molecular Properties

Compound Name2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid
PubChem CID67659805
Molecular FormulaC8H9O5P
Molecular Weight216.13 g/mol
Exact Mass216.02
IUPAC Name2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid
SMILESO=C(O)COP(O)Oc1ccccc1
InChIInChI=1S/C8H9O5P/c9-8(10)6-12-14(11)13-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
InChIKeyCPGDJRYUZAYJRI-UHFFFAOYSA-N
XLogP1.39
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diphenyl hydrogen phosphite;ethanol
CID 159674253
2-phenoxyacetic acid;titanium
CID 174896747
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
diphenyl hydrogen phosphite;oxo(diphenoxy)phosphanium
CID 87382332
phenoxy(phenyl)phosphinous acid
CID 21107296
chloromethane;2-phenoxyacetic acid
CID 157255542
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
naphthalene;2-phenoxyacetic acid
CID 175275275
2-phenoxyacetic acid;piperazine
CID 54610102
12,12-diphenyldodecyl phenyl hydrogen phosphite
CID 70542375
bis(phenyl dihydrogen phosphite);sulfane
CID 174625507
formyl(phenoxy)phosphinous acid
CID 19387428

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid?
The IUPAC name of 2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid (CID 67659805) is 2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid.
What is the SMILES notation for 2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid?
The canonical SMILES for 2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid is O=C(O)COP(O)Oc1ccccc1.
What is the InChIKey of 2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid?
The InChIKey is CPGDJRYUZAYJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O5P/c9-8(10)6-12-14(11)13-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10).
What are the key properties of 2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid?
2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid has a molecular weight of 216.13 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid is sourced from PubChem (CID 67659805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).