2-[hydroxy(phenyl)phosphoryl]acetic acid

C8H9O4P — CID 514148

IUPAC2-[hydroxy(phenyl)phosphoryl]acetic acid
SMILESO=C(O)CP(=O)(O)c1ccccc1
InChIInChI=1S/C8H9O4P/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)(H,11,12)
InChIKeyFGALVVBOIVDPLP-UHFFFAOYSA-N
MW200.13 g/mol
LogP0.67
Rot. Bonds3

About 2-[hydroxy(phenyl)phosphoryl]acetic acid

2-[hydroxy(phenyl)phosphoryl]acetic acid (PubChem CID 514148) has the molecular formula C8H9O4P and a molecular weight of 200.13 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)phosphoryl]acetic acid.

Molecular Properties

Compound Name2-[hydroxy(phenyl)phosphoryl]acetic acid
PubChem CID514148
Molecular FormulaC8H9O4P
Molecular Weight200.13 g/mol
Exact Mass200.02
IUPAC Name2-[hydroxy(phenyl)phosphoryl]acetic acid
SMILESO=C(O)CP(=O)(O)c1ccccc1
InChIInChI=1S/C8H9O4P/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)(H,11,12)
InChIKeyFGALVVBOIVDPLP-UHFFFAOYSA-N
XLogP0.67
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[hydroxy(phenyl)phosphoryl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)phosphoryl]acetic acid?
The IUPAC name of 2-[hydroxy(phenyl)phosphoryl]acetic acid (CID 514148) is 2-[hydroxy(phenyl)phosphoryl]acetic acid.
What is the SMILES notation for 2-[hydroxy(phenyl)phosphoryl]acetic acid?
The canonical SMILES for 2-[hydroxy(phenyl)phosphoryl]acetic acid is O=C(O)CP(=O)(O)c1ccccc1.
What is the InChIKey of 2-[hydroxy(phenyl)phosphoryl]acetic acid?
The InChIKey is FGALVVBOIVDPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O4P/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)(H,11,12).
What are the key properties of 2-[hydroxy(phenyl)phosphoryl]acetic acid?
2-[hydroxy(phenyl)phosphoryl]acetic acid has a molecular weight of 200.13 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)phosphoryl]acetic acid is sourced from PubChem (CID 514148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).