2-diethylphosphoryloxypropan-1-ol

C7H17O3P — CID 137435698

IUPAC2-diethylphosphoryloxypropan-1-ol
SMILESCCP(=O)(CC)OC(C)CO
InChIInChI=1S/C7H17O3P/c1-4-11(9,5-2)10-7(3)6-8/h7-8H,4-6H2,1-3H3
InChIKeyLBMJNEVPMNNGNR-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.70
Rot. Bonds5

About 2-diethylphosphoryloxypropan-1-ol

2-diethylphosphoryloxypropan-1-ol (PubChem CID 137435698) has the molecular formula C7H17O3P and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-diethylphosphoryloxypropan-1-ol.

Molecular Properties

Compound Name2-diethylphosphoryloxypropan-1-ol
PubChem CID137435698
Molecular FormulaC7H17O3P
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Name2-diethylphosphoryloxypropan-1-ol
SMILESCCP(=O)(CC)OC(C)CO
InChIInChI=1S/C7H17O3P/c1-4-11(9,5-2)10-7(3)6-8/h7-8H,4-6H2,1-3H3
InChIKeyLBMJNEVPMNNGNR-UHFFFAOYSA-N
XLogP1.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(propyl)phosphoryl]oxypropan-1-ol
CID 129142575
2-[ethyl(pent-2-enyl)phosphoryl]oxypropan-1-ol
CID 166668748
tributan-2-yl phosphate
CID 11482502
1-diethylphosphoryloxy-3-hydroxy-2-(hydroxymethyl)propane-1-sulfonic acid
CID 174290671
2-[chloro(ethyl)phosphoryl]oxybutane
CID 170850887
2-[1-carboxyethoxy(1-hydroxypropan-2-yloxy)phosphoryl]oxypropanoic acid
CID 165361288
(2S)-2-[[(2S)-butan-2-yl]oxy-chlorophosphoryl]oxybutane
CID 129405221
(2R)-2-(2-methoxyethoxy)propan-1-ol
CID 118089106
butan-2-yl dipropan-2-yl phosphate
CID 71379379
dipotassium;butan-2-yl phosphate
CID 21353345
2-Hydroxy-1-methylethyldioxy
CID 132575456
butan-2-yloxy(tert-butyl)phosphinic acid
CID 118610091

Frequently Asked Questions

What is the IUPAC name of 2-diethylphosphoryloxypropan-1-ol?
The IUPAC name of 2-diethylphosphoryloxypropan-1-ol (CID 137435698) is 2-diethylphosphoryloxypropan-1-ol.
What is the SMILES notation for 2-diethylphosphoryloxypropan-1-ol?
The canonical SMILES for 2-diethylphosphoryloxypropan-1-ol is CCP(=O)(CC)OC(C)CO.
What is the InChIKey of 2-diethylphosphoryloxypropan-1-ol?
The InChIKey is LBMJNEVPMNNGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3P/c1-4-11(9,5-2)10-7(3)6-8/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-diethylphosphoryloxypropan-1-ol?
2-diethylphosphoryloxypropan-1-ol has a molecular weight of 180.18 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethylphosphoryloxypropan-1-ol is sourced from PubChem (CID 137435698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).