hydroxy-phenoxy-dipropylphosphanium

C12H20O2P+ — CID 69049666

IUPAChydroxy-phenoxy-dipropylphosphanium
SMILESCCC[P+](O)(CCC)Oc1ccccc1
InChIInChI=1S/C12H20O2P/c1-3-10-15(13,11-4-2)14-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3/q+1
InChIKeyOOFXLTYCRQIJGA-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.73
Rot. Bonds6

About hydroxy-phenoxy-dipropylphosphanium

hydroxy-phenoxy-dipropylphosphanium (PubChem CID 69049666) has the molecular formula C12H20O2P+ and a molecular weight of 227.26 g/mol. Its IUPAC name is hydroxy-phenoxy-dipropylphosphanium.

Molecular Properties

Compound Namehydroxy-phenoxy-dipropylphosphanium
PubChem CID69049666
Molecular FormulaC12H20O2P+
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Namehydroxy-phenoxy-dipropylphosphanium
SMILESCCC[P+](O)(CCC)Oc1ccccc1
InChIInChI=1S/C12H20O2P/c1-3-10-15(13,11-4-2)14-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3/q+1
InChIKeyOOFXLTYCRQIJGA-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tributyl(phenoxy)phosphanium
CID 23415293
1-phenoxyhexadecan-1-ol
CID 140512988
trihydroxy(phenoxy)phosphanium
CID 11592959
1-phenoxypropane-1,2-diol
CID 22140567
(3R)-1-phenoxyhexan-3-ol
CID 102063151
1-phenoxybutane-1,2-diol
CID 19866542
phenyl 2-hydroxypentanoate
CID 141237122
1-phenoxyethanol
CID 66611531
dichloro-hydroxy-phenoxyphosphanium
CID 23414991
1-(2-phenoxydecoxy)ethanol
CID 69066857
2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid
CID 137423428
undecan-6-yloxybenzene
CID 130316504

Frequently Asked Questions

What is the IUPAC name of hydroxy-phenoxy-dipropylphosphanium?
The IUPAC name of hydroxy-phenoxy-dipropylphosphanium (CID 69049666) is hydroxy-phenoxy-dipropylphosphanium.
What is the SMILES notation for hydroxy-phenoxy-dipropylphosphanium?
The canonical SMILES for hydroxy-phenoxy-dipropylphosphanium is CCC[P+](O)(CCC)Oc1ccccc1.
What is the InChIKey of hydroxy-phenoxy-dipropylphosphanium?
The InChIKey is OOFXLTYCRQIJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2P/c1-3-10-15(13,11-4-2)14-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3/q+1.
What are the key properties of hydroxy-phenoxy-dipropylphosphanium?
hydroxy-phenoxy-dipropylphosphanium has a molecular weight of 227.26 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-phenoxy-dipropylphosphanium is sourced from PubChem (CID 69049666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).