3-diethoxyphosphorylpropan-1-ol

C7H17O4P — CID 12594218

IUPAC3-diethoxyphosphorylpropan-1-ol
SMILESCCOP(=O)(CCCO)OCC
InChIInChI=1S/C7H17O4P/c1-3-10-12(9,11-4-2)7-5-6-8/h8H,3-7H2,1-2H3
InChIKeyCUQDREPACNNCTH-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.63
Rot. Bonds7

About 3-diethoxyphosphorylpropan-1-ol

3-diethoxyphosphorylpropan-1-ol (PubChem CID 12594218) has the molecular formula C7H17O4P and a molecular weight of 196.18 g/mol. Its IUPAC name is 3-diethoxyphosphorylpropan-1-ol.

Molecular Properties

Compound Name3-diethoxyphosphorylpropan-1-ol
PubChem CID12594218
Molecular FormulaC7H17O4P
Molecular Weight196.18 g/mol
Exact Mass196.09
IUPAC Name3-diethoxyphosphorylpropan-1-ol
SMILESCCOP(=O)(CCCO)OCC
InChIInChI=1S/C7H17O4P/c1-3-10-12(9,11-4-2)7-5-6-8/h8H,3-7H2,1-2H3
InChIKeyCUQDREPACNNCTH-UHFFFAOYSA-N
XLogP1.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-diethoxyphosphorylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl phosphonomethanol
CID 76513
Diethyl (2-hydroxyethyl)phosphonate
CID 312225
Diethyl P-(1-hydroxy-2-methylpropyl)phosphonate
CID 99750
Ethoxy(2-hydroxyethyl)phosphinic acid
CID 87225689
Dimethyl (2-hydroxyethyl)phosphonate
CID 2733833
[(2R)-1-hydroxypropan-2-yl]phosphonic acid
CID 153806433
Dimethyl (1-hydroxyethyl)phosphonate
CID 112018
Dibutyl (1-hydroxybutyl)phosphonate
CID 303486
[(1s)-1-Hydroxypropyl]phosphonic Acid
CID 71297190
[(1R)-1-hydroxy-2-methylpropyl]phosphonic acid
CID 130626556
(4-Hydroxybutyl)phosphonic acid
CID 17971710
Dimethyl 1-hydroxybutylphosphonate
CID 573521

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphorylpropan-1-ol?
The IUPAC name of 3-diethoxyphosphorylpropan-1-ol (CID 12594218) is 3-diethoxyphosphorylpropan-1-ol.
What is the SMILES notation for 3-diethoxyphosphorylpropan-1-ol?
The canonical SMILES for 3-diethoxyphosphorylpropan-1-ol is CCOP(=O)(CCCO)OCC.
What is the InChIKey of 3-diethoxyphosphorylpropan-1-ol?
The InChIKey is CUQDREPACNNCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4P/c1-3-10-12(9,11-4-2)7-5-6-8/h8H,3-7H2,1-2H3.
What are the key properties of 3-diethoxyphosphorylpropan-1-ol?
3-diethoxyphosphorylpropan-1-ol has a molecular weight of 196.18 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphorylpropan-1-ol is sourced from PubChem (CID 12594218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).