Phosphopropanol

C3H7O3P — CID 6368229

IUPAC—
SMILESCCCOP(=O)=O
InChIInChI=1S/C3H7O3P/c1-2-3-6-7(4)5/h2-3H2,1H3
InChIKeyOWBGZFRYOBBPOG-UHFFFAOYSA-N
MW122.06 g/mol
LogP1.50
Rot. Bonds3

About Phosphopropanol

Phosphopropanol (PubChem CID 6368229) has the molecular formula C3H7O3P and a molecular weight of 122.06 g/mol.

Molecular Properties

Compound NamePhosphopropanol
PubChem CID6368229
Molecular FormulaC3H7O3P
Molecular Weight122.06 g/mol
Exact Mass122.01
IUPAC Name—
SMILESCCCOP(=O)=O
InChIInChI=1S/C3H7O3P/c1-2-3-6-7(4)5/h2-3H2,1H3
InChIKeyOWBGZFRYOBBPOG-UHFFFAOYSA-N
XLogP1.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.06
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Phosphopropanol?
The IUPAC name of Phosphopropanol (CID 6368229) is not available.
What is the SMILES notation for Phosphopropanol?
The canonical SMILES for Phosphopropanol is CCCOP(=O)=O.
What is the InChIKey of Phosphopropanol?
The InChIKey is OWBGZFRYOBBPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3P/c1-2-3-6-7(4)5/h2-3H2,1H3.
What are the key properties of Phosphopropanol?
Phosphopropanol has a molecular weight of 122.06 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Phosphopropanol is sourced from PubChem (CID 6368229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).