1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol

C9H21O4P — CID 59288646

IUPAC1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol
SMILESCC(O)COCC(C)OC(C)COP
InChIInChI=1S/C9H21O4P/c1-7(10)4-11-5-8(2)13-9(3)6-12-14/h7-10H,4-6,14H2,1-3H3
InChIKeyFMQLSUMHEOJNIG-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.98
Rot. Bonds8

About 1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol

1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol (PubChem CID 59288646) has the molecular formula C9H21O4P and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol
PubChem CID59288646
Molecular FormulaC9H21O4P
Molecular Weight224.24 g/mol
Exact Mass224.12
IUPAC Name1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol
SMILESCC(O)COCC(C)OC(C)COP
InChIInChI=1S/C9H21O4P/c1-7(10)4-11-5-8(2)13-9(3)6-12-14/h7-10H,4-6,14H2,1-3H3
InChIKeyFMQLSUMHEOJNIG-UHFFFAOYSA-N
XLogP0.98
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-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

(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
2-[1-[1-(1-phosphanyloxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propoxyphosphane
CID 59288681
1-[2-[2-[1-[3-(2-hydroxypropoxy)-2-[2-[1-[3-(2-hydroxypropoxy)-2,2-bis(2-hydroxypropoxymethyl)propoxy]propan-2-yloxy]propoxymethyl]-2-(2-hydroxypropoxymethyl)propoxy]propan-2-yloxy]propoxymethyl]-2-(2-hydroxypropoxymethyl)-3-(2-methylpropoxy)propoxy]propan-2-ol
CID 162486786
1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol
CID 122545429
1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol
CID 57483531
1-(2,2-difluoroethoxy)propan-2-ol
CID 82006687
1-[3-(2-hydroxypropoxy)-2-(2-methoxypropoxy)propoxy]propan-2-ol
CID 22947723
1-[2,2-bis(2-hydroxypropoxymethyl)-3-(2-methylpropoxy)propoxy]propan-2-yl 1-[3-(2-hydroxypropoxy)-2-[2-[1-[3-(2-hydroxypropoxy)-2,2-bis(2-hydroxypropoxymethyl)propoxy]propan-2-yloxy]propoxymethyl]-2-(2-hydroxypropoxymethyl)propoxy]propan-2-yl carbonate
CID 162486788
[2-hydroxy-3-[1-(2-hydroxypropoxy)propan-2-yloxy]propyl]-trimethylazanium
CID 21106306
2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol
CID 21493299
1-[2,4,5-tris(2-hydroxypropoxy)-3-(2-methoxypropoxy)pentoxy]propan-2-ol
CID 20813417
1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane
CID 159503599

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol?
The IUPAC name of 1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol (CID 59288646) is 1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol?
The canonical SMILES for 1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol is CC(O)COCC(C)OC(C)COP.
What is the InChIKey of 1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol?
The InChIKey is FMQLSUMHEOJNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O4P/c1-7(10)4-11-5-8(2)13-9(3)6-12-14/h7-10H,4-6,14H2,1-3H3.
What are the key properties of 1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol?
1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol has a molecular weight of 224.24 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol is sourced from PubChem (CID 59288646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).