ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid

C6H16O5P2 — CID 58140328

IUPACethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid
SMILESCCOP(=O)(O)C(CC)P(C)(=O)O
InChIInChI=1S/C6H16O5P2/c1-4-6(12(3,7)8)13(9,10)11-5-2/h6H,4-5H2,1-3H3,(H,7,8)(H,9,10)
InChIKeyPUHYZAUAPANKQK-UHFFFAOYSA-N
MW230.14 g/mol
LogP1.84
Rot. Bonds5

About ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid

ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid (PubChem CID 58140328) has the molecular formula C6H16O5P2 and a molecular weight of 230.14 g/mol. Its IUPAC name is ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid
PubChem CID58140328
Molecular FormulaC6H16O5P2
Molecular Weight230.14 g/mol
Exact Mass230.05
IUPAC Nameethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid
SMILESCCOP(=O)(O)C(CC)P(C)(=O)O
InChIInChI=1S/C6H16O5P2/c1-4-6(12(3,7)8)13(9,10)11-5-2/h6H,4-5H2,1-3H3,(H,7,8)(H,9,10)
InChIKeyPUHYZAUAPANKQK-UHFFFAOYSA-N
XLogP1.84
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic 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 ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid?
The IUPAC name of ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid (CID 58140328) is ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid.
What is the SMILES notation for ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid?
The canonical SMILES for ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid is CCOP(=O)(O)C(CC)P(C)(=O)O.
What is the InChIKey of ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid?
The InChIKey is PUHYZAUAPANKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O5P2/c1-4-6(12(3,7)8)13(9,10)11-5-2/h6H,4-5H2,1-3H3,(H,7,8)(H,9,10).
What are the key properties of ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid?
ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid has a molecular weight of 230.14 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid is sourced from PubChem (CID 58140328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).