2-hydroxypropyl phosphate

C3H7O5P-2 — CID 18179361

IUPAC2-hydroxypropyl phosphate
SMILESCC(O)COP(=O)([O-])[O-]
InChIInChI=1S/C3H9O5P/c1-3(4)2-8-9(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/p-2
InChIKeyPDKDLYHHQBVFJL-UHFFFAOYSA-L
MW154.06 g/mol
LogP-1.79
Rot. Bonds3

About 2-hydroxypropyl phosphate

2-hydroxypropyl phosphate (PubChem CID 18179361) has the molecular formula C3H7O5P-2 and a molecular weight of 154.06 g/mol. Its IUPAC name is 2-hydroxypropyl phosphate.

Molecular Properties

Compound Name2-hydroxypropyl phosphate
PubChem CID18179361
Molecular FormulaC3H7O5P-2
Molecular Weight154.06 g/mol
Exact Mass154.00
IUPAC Name2-hydroxypropyl phosphate
SMILESCC(O)COP(=O)([O-])[O-]
InChIInChI=1S/C3H9O5P/c1-3(4)2-8-9(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/p-2
InChIKeyPDKDLYHHQBVFJL-UHFFFAOYSA-L
XLogP-1.79
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.06
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxypropyl phosphate 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-hydroxypropyl phosphate?
The IUPAC name of 2-hydroxypropyl phosphate (CID 18179361) is 2-hydroxypropyl phosphate.
What is the SMILES notation for 2-hydroxypropyl phosphate?
The canonical SMILES for 2-hydroxypropyl phosphate is CC(O)COP(=O)([O-])[O-].
What is the InChIKey of 2-hydroxypropyl phosphate?
The InChIKey is PDKDLYHHQBVFJL-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H9O5P/c1-3(4)2-8-9(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/p-2.
What are the key properties of 2-hydroxypropyl phosphate?
2-hydroxypropyl phosphate has a molecular weight of 154.06 g/mol, XLogP of -1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl phosphate is sourced from PubChem (CID 18179361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).