chloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid

C5H12ClO4P — CID 22996586

IUPACchloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid
SMILESCC(C)(CO)COP(=O)(O)Cl
InChIInChI=1S/C5H12ClO4P/c1-5(2,3-7)4-10-11(6,8)9/h7H,3-4H2,1-2H3,(H,8,9)
InChIKeyACMZYZAVPKFGOM-UHFFFAOYSA-N
MW202.57 g/mol
LogP1.36
Rot. Bonds4

About chloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid

chloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid (PubChem CID 22996586) has the molecular formula C5H12ClO4P and a molecular weight of 202.57 g/mol. Its IUPAC name is chloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid.

Molecular Properties

Compound Namechloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid
PubChem CID22996586
Molecular FormulaC5H12ClO4P
Molecular Weight202.57 g/mol
Exact Mass202.02
IUPAC Namechloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid
SMILESCC(C)(CO)COP(=O)(O)Cl
InChIInChI=1S/C5H12ClO4P/c1-5(2,3-7)4-10-11(6,8)9/h7H,3-4H2,1-2H3,(H,8,9)
InChIKeyACMZYZAVPKFGOM-UHFFFAOYSA-N
XLogP1.36
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.57
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze chloro-(3-hydroxy-2,2-dimethylpropoxy)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 chloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid?
The IUPAC name of chloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid (CID 22996586) is chloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid.
What is the SMILES notation for chloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid?
The canonical SMILES for chloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid is CC(C)(CO)COP(=O)(O)Cl.
What is the InChIKey of chloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid?
The InChIKey is ACMZYZAVPKFGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClO4P/c1-5(2,3-7)4-10-11(6,8)9/h7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of chloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid?
chloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid has a molecular weight of 202.57 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid is sourced from PubChem (CID 22996586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).