3-hydroxypropylphosphonic acid

C3H9O4P — CID 11147763

IUPAC3-hydroxypropylphosphonic acid
SMILESO=P(O)(O)CCCO
InChIInChI=1S/C3H9O4P/c4-2-1-3-8(5,6)7/h4H,1-3H2,(H2,5,6,7)
InChIKeyBWGOLNLROKJSGE-UHFFFAOYSA-N
MW140.07 g/mol
LogP-0.45
Rot. Bonds3

About 3-hydroxypropylphosphonic acid

3-hydroxypropylphosphonic acid (PubChem CID 11147763) has the molecular formula C3H9O4P and a molecular weight of 140.07 g/mol. Its IUPAC name is 3-hydroxypropylphosphonic acid.

Molecular Properties

Compound Name3-hydroxypropylphosphonic acid
PubChem CID11147763
Molecular FormulaC3H9O4P
Molecular Weight140.07 g/mol
Exact Mass140.02
IUPAC Name3-hydroxypropylphosphonic acid
SMILESO=P(O)(O)CCCO
InChIInChI=1S/C3H9O4P/c4-2-1-3-8(5,6)7/h4H,1-3H2,(H2,5,6,7)
InChIKeyBWGOLNLROKJSGE-UHFFFAOYSA-N
XLogP-0.45
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.07
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxypropylphosphonic 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 3-hydroxypropylphosphonic acid?
The IUPAC name of 3-hydroxypropylphosphonic acid (CID 11147763) is 3-hydroxypropylphosphonic acid.
What is the SMILES notation for 3-hydroxypropylphosphonic acid?
The canonical SMILES for 3-hydroxypropylphosphonic acid is O=P(O)(O)CCCO.
What is the InChIKey of 3-hydroxypropylphosphonic acid?
The InChIKey is BWGOLNLROKJSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O4P/c4-2-1-3-8(5,6)7/h4H,1-3H2,(H2,5,6,7).
What are the key properties of 3-hydroxypropylphosphonic acid?
3-hydroxypropylphosphonic acid has a molecular weight of 140.07 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropylphosphonic acid is sourced from PubChem (CID 11147763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).