2-(diethoxyphosphorylmethoxy)propane-1,3-diol

C8H19O6P — CID 14862070

IUPAC2-(diethoxyphosphorylmethoxy)propane-1,3-diol
SMILESCCOP(=O)(COC(CO)CO)OCC
InChIInChI=1S/C8H19O6P/c1-3-13-15(11,14-4-2)7-12-8(5-9)6-10/h8-10H,3-7H2,1-2H3
InChIKeyYWNPKHPYFKVPRU-UHFFFAOYSA-N
MW242.21 g/mol
LogP0.58
Rot. Bonds9

About 2-(diethoxyphosphorylmethoxy)propane-1,3-diol

2-(diethoxyphosphorylmethoxy)propane-1,3-diol (PubChem CID 14862070) has the molecular formula C8H19O6P and a molecular weight of 242.21 g/mol. Its IUPAC name is 2-(diethoxyphosphorylmethoxy)propane-1,3-diol.

Molecular Properties

Compound Name2-(diethoxyphosphorylmethoxy)propane-1,3-diol
PubChem CID14862070
Molecular FormulaC8H19O6P
Molecular Weight242.21 g/mol
Exact Mass242.09
IUPAC Name2-(diethoxyphosphorylmethoxy)propane-1,3-diol
SMILESCCOP(=O)(COC(CO)CO)OCC
InChIInChI=1S/C8H19O6P/c1-3-13-15(11,14-4-2)7-12-8(5-9)6-10/h8-10H,3-7H2,1-2H3
InChIKeyYWNPKHPYFKVPRU-UHFFFAOYSA-N
XLogP0.58
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(diethoxyphosphorylmethoxy)propane-1,3-diol 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-(diethoxyphosphorylmethoxy)propane-1,3-diol?
The IUPAC name of 2-(diethoxyphosphorylmethoxy)propane-1,3-diol (CID 14862070) is 2-(diethoxyphosphorylmethoxy)propane-1,3-diol.
What is the SMILES notation for 2-(diethoxyphosphorylmethoxy)propane-1,3-diol?
The canonical SMILES for 2-(diethoxyphosphorylmethoxy)propane-1,3-diol is CCOP(=O)(COC(CO)CO)OCC.
What is the InChIKey of 2-(diethoxyphosphorylmethoxy)propane-1,3-diol?
The InChIKey is YWNPKHPYFKVPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O6P/c1-3-13-15(11,14-4-2)7-12-8(5-9)6-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-(diethoxyphosphorylmethoxy)propane-1,3-diol?
2-(diethoxyphosphorylmethoxy)propane-1,3-diol has a molecular weight of 242.21 g/mol, XLogP of 0.58, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxyphosphorylmethoxy)propane-1,3-diol is sourced from PubChem (CID 14862070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).