2-[ethyl(propyl)phosphoryl]oxypropan-1-ol

C8H19O3P — CID 129142575

IUPAC2-[ethyl(propyl)phosphoryl]oxypropan-1-ol
SMILESCCCP(=O)(CC)OC(C)CO
InChIInChI=1S/C8H19O3P/c1-4-6-12(10,5-2)11-8(3)7-9/h8-9H,4-7H2,1-3H3
InChIKeyZJOZVOWNJZBEIY-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.09
Rot. Bonds6

About 2-[ethyl(propyl)phosphoryl]oxypropan-1-ol

2-[ethyl(propyl)phosphoryl]oxypropan-1-ol (PubChem CID 129142575) has the molecular formula C8H19O3P and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-[ethyl(propyl)phosphoryl]oxypropan-1-ol.

Molecular Properties

Compound Name2-[ethyl(propyl)phosphoryl]oxypropan-1-ol
PubChem CID129142575
Molecular FormulaC8H19O3P
Molecular Weight194.21 g/mol
Exact Mass194.11
IUPAC Name2-[ethyl(propyl)phosphoryl]oxypropan-1-ol
SMILESCCCP(=O)(CC)OC(C)CO
InChIInChI=1S/C8H19O3P/c1-4-6-12(10,5-2)11-8(3)7-9/h8-9H,4-7H2,1-3H3
InChIKeyZJOZVOWNJZBEIY-UHFFFAOYSA-N
XLogP2.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[ethyl(propyl)phosphoryl]oxypropan-1-ol?
The IUPAC name of 2-[ethyl(propyl)phosphoryl]oxypropan-1-ol (CID 129142575) is 2-[ethyl(propyl)phosphoryl]oxypropan-1-ol.
What is the SMILES notation for 2-[ethyl(propyl)phosphoryl]oxypropan-1-ol?
The canonical SMILES for 2-[ethyl(propyl)phosphoryl]oxypropan-1-ol is CCCP(=O)(CC)OC(C)CO.
What is the InChIKey of 2-[ethyl(propyl)phosphoryl]oxypropan-1-ol?
The InChIKey is ZJOZVOWNJZBEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P/c1-4-6-12(10,5-2)11-8(3)7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-[ethyl(propyl)phosphoryl]oxypropan-1-ol?
2-[ethyl(propyl)phosphoryl]oxypropan-1-ol has a molecular weight of 194.21 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propyl)phosphoryl]oxypropan-1-ol is sourced from PubChem (CID 129142575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).