1-dimethoxyphosphorylpropan-2-ol

C5H13O4P — CID 10630927

IUPAC1-dimethoxyphosphorylpropan-2-ol
SMILESCOP(=O)(CC(C)O)OC
InChIInChI=1S/C5H13O4P/c1-5(6)4-10(7,8-2)9-3/h5-6H,4H2,1-3H3
InChIKeyHUFBGIJJBISULH-UHFFFAOYSA-N
MW168.13 g/mol
LogP0.85
Rot. Bonds4

About 1-dimethoxyphosphorylpropan-2-ol

1-dimethoxyphosphorylpropan-2-ol (PubChem CID 10630927) has the molecular formula C5H13O4P and a molecular weight of 168.13 g/mol. Its IUPAC name is 1-dimethoxyphosphorylpropan-2-ol.

Molecular Properties

Compound Name1-dimethoxyphosphorylpropan-2-ol
PubChem CID10630927
Molecular FormulaC5H13O4P
Molecular Weight168.13 g/mol
Exact Mass168.06
IUPAC Name1-dimethoxyphosphorylpropan-2-ol
SMILESCOP(=O)(CC(C)O)OC
InChIInChI=1S/C5H13O4P/c1-5(6)4-10(7,8-2)9-3/h5-6H,4H2,1-3H3
InChIKeyHUFBGIJJBISULH-UHFFFAOYSA-N
XLogP0.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 50.85
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 1-dimethoxyphosphorylpropan-2-ol?
The IUPAC name of 1-dimethoxyphosphorylpropan-2-ol (CID 10630927) is 1-dimethoxyphosphorylpropan-2-ol.
What is the SMILES notation for 1-dimethoxyphosphorylpropan-2-ol?
The canonical SMILES for 1-dimethoxyphosphorylpropan-2-ol is COP(=O)(CC(C)O)OC.
What is the InChIKey of 1-dimethoxyphosphorylpropan-2-ol?
The InChIKey is HUFBGIJJBISULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O4P/c1-5(6)4-10(7,8-2)9-3/h5-6H,4H2,1-3H3.
What are the key properties of 1-dimethoxyphosphorylpropan-2-ol?
1-dimethoxyphosphorylpropan-2-ol has a molecular weight of 168.13 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphorylpropan-2-ol is sourced from PubChem (CID 10630927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).