2-hydroxyhexan-2-yl(phenyl)phosphinate

C12H18O3P- — CID 18991839

IUPAC2-hydroxyhexan-2-yl(phenyl)phosphinate
SMILESCCCCC(C)(O)P(=O)([O-])c1ccccc1
InChIInChI=1S/C12H19O3P/c1-3-4-10-12(2,13)16(14,15)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,14,15)/p-1
InChIKeyCUADINZKHQKRSP-UHFFFAOYSA-M
MW241.25 g/mol
LogP1.85
Rot. Bonds5

About 2-hydroxyhexan-2-yl(phenyl)phosphinate

2-hydroxyhexan-2-yl(phenyl)phosphinate (PubChem CID 18991839) has the molecular formula C12H18O3P- and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-hydroxyhexan-2-yl(phenyl)phosphinate.

Molecular Properties

Compound Name2-hydroxyhexan-2-yl(phenyl)phosphinate
PubChem CID18991839
Molecular FormulaC12H18O3P-
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-hydroxyhexan-2-yl(phenyl)phosphinate
SMILESCCCCC(C)(O)P(=O)([O-])c1ccccc1
InChIInChI=1S/C12H19O3P/c1-3-4-10-12(2,13)16(14,15)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,14,15)/p-1
InChIKeyCUADINZKHQKRSP-UHFFFAOYSA-M
XLogP1.85
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.85
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

butyl(phenyl)phosphinate
CID 51386598
1-dibutylphosphorylbutane;diphenylphosphorylbenzene
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dioxido-oxo-phenyl-λ5-phosphane;bis(tetrabutylazanium)
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neodymium(3+);tris([(Z)-octadec-9-enoxy]-phenylphosphinate)
CID 175578267
[butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone
CID 58825409
2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol
CID 13048791
diphenylphosphinate;trihexyl(methyl)phosphanium
CID 18979396
1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol
CID 14928098
[butoxy(fluoro)phosphoryl]benzene
CID 23235617
calcium;hydride;2-methyl-2-phenylhexanoic acid
CID 175225013
di(tridecoxy)phosphorylbenzene
CID 87531060
2-decylhexadecyl(phenyl)phosphinic acid
CID 143870973

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyhexan-2-yl(phenyl)phosphinate?
The IUPAC name of 2-hydroxyhexan-2-yl(phenyl)phosphinate (CID 18991839) is 2-hydroxyhexan-2-yl(phenyl)phosphinate.
What is the SMILES notation for 2-hydroxyhexan-2-yl(phenyl)phosphinate?
The canonical SMILES for 2-hydroxyhexan-2-yl(phenyl)phosphinate is CCCCC(C)(O)P(=O)([O-])c1ccccc1.
What is the InChIKey of 2-hydroxyhexan-2-yl(phenyl)phosphinate?
The InChIKey is CUADINZKHQKRSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H19O3P/c1-3-4-10-12(2,13)16(14,15)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,14,15)/p-1.
What are the key properties of 2-hydroxyhexan-2-yl(phenyl)phosphinate?
2-hydroxyhexan-2-yl(phenyl)phosphinate has a molecular weight of 241.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyhexan-2-yl(phenyl)phosphinate is sourced from PubChem (CID 18991839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).