2-dimethoxyphosphorylethanol

C4H11O4P — CID 2733833

IUPAC2-dimethoxyphosphorylethanol
SMILESCOP(=O)(CCO)OC
InChIInChI=1S/C4H11O4P/c1-7-9(6,8-2)4-3-5/h5H,3-4H2,1-2H3
InChIKeyTZPPDWDHNIMTDQ-UHFFFAOYSA-N
MW154.10 g/mol
LogP0.46
Rot. Bonds4

About 2-dimethoxyphosphorylethanol

2-dimethoxyphosphorylethanol (PubChem CID 2733833) has the molecular formula C4H11O4P and a molecular weight of 154.10 g/mol. Its IUPAC name is 2-dimethoxyphosphorylethanol.

Molecular Properties

Compound Name2-dimethoxyphosphorylethanol
PubChem CID2733833
Molecular FormulaC4H11O4P
Molecular Weight154.10 g/mol
Exact Mass154.04
IUPAC Name2-dimethoxyphosphorylethanol
SMILESCOP(=O)(CCO)OC
InChIInChI=1S/C4H11O4P/c1-7-9(6,8-2)4-3-5/h5H,3-4H2,1-2H3
InChIKeyTZPPDWDHNIMTDQ-UHFFFAOYSA-N
XLogP0.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.10
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphorylethanol?
The IUPAC name of 2-dimethoxyphosphorylethanol (CID 2733833) is 2-dimethoxyphosphorylethanol.
What is the SMILES notation for 2-dimethoxyphosphorylethanol?
The canonical SMILES for 2-dimethoxyphosphorylethanol is COP(=O)(CCO)OC.
What is the InChIKey of 2-dimethoxyphosphorylethanol?
The InChIKey is TZPPDWDHNIMTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O4P/c1-7-9(6,8-2)4-3-5/h5H,3-4H2,1-2H3.
What are the key properties of 2-dimethoxyphosphorylethanol?
2-dimethoxyphosphorylethanol has a molecular weight of 154.10 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphorylethanol is sourced from PubChem (CID 2733833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).