[(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium

C14H22O5P2 — CID 172860673

IUPAC[(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium
SMILESCC(C)(C)c1ccc(OP(O)O[P+](=O)[O-])c(C(C)(C)C)c1
InChIInChI=1S/C14H22O5P2/c1-13(2,3)10-7-8-12(11(9-10)14(4,5)6)18-21(17)19-20(15)16/h7-9,17H,1-6H3
InChIKeyZHQDOAQVMQDHOA-UHFFFAOYSA-N
MW332.27 g/mol
LogP3.91
Rot. Bonds4

About [(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium

[(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium (PubChem CID 172860673) has the molecular formula C14H22O5P2 and a molecular weight of 332.27 g/mol. Its IUPAC name is [(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium.

Molecular Properties

Compound Name[(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium
PubChem CID172860673
Molecular FormulaC14H22O5P2
Molecular Weight332.27 g/mol
Exact Mass332.09
IUPAC Name[(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium
SMILESCC(C)(C)c1ccc(OP(O)O[P+](=O)[O-])c(C(C)(C)C)c1
InChIInChI=1S/C14H22O5P2/c1-13(2,3)10-7-8-12(11(9-10)14(4,5)6)18-21(17)19-20(15)16/h7-9,17H,1-6H3
InChIKeyZHQDOAQVMQDHOA-UHFFFAOYSA-N
XLogP3.91
TPSA78.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159985357
(2,4-ditert-butylphenoxy)-dimethylphosphane
CID 19091733
dibismuth;tris((2,4-ditert-butylphenyl) phosphite)
CID 159144248
ditert-butyl-(2,4-ditert-butylphenoxy)phosphane
CID 137456665
(2,4-ditert-butylphenyl) dihydrogen phosphate;(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159327100
2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane
CID 139718939
bis(3,6-ditert-butylnaphthalen-2-yl) (2,4-ditert-butylphenyl) phosphite
CID 23002702
sodium bis(2,4-ditert-butylphenoxy) phosphate
CID 141264993
(2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane
CID 90750737
(2,4-ditert-butylphenyl) dihydrogen phosphate;hydrate
CID 172684723
2,4-ditert-butyl-1-(trifluoromethoxy)benzene
CID 164683677
(2-tert-butyl-4-methylphenyl) dihydrogen phosphite
CID 19741799

Frequently Asked Questions

What is the IUPAC name of [(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium?
The IUPAC name of [(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium (CID 172860673) is [(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium.
What is the SMILES notation for [(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium?
The canonical SMILES for [(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium is CC(C)(C)c1ccc(OP(O)O[P+](=O)[O-])c(C(C)(C)C)c1.
What is the InChIKey of [(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium?
The InChIKey is ZHQDOAQVMQDHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5P2/c1-13(2,3)10-7-8-12(11(9-10)14(4,5)6)18-21(17)19-20(15)16/h7-9,17H,1-6H3.
What are the key properties of [(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium?
[(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium has a molecular weight of 332.27 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium is sourced from PubChem (CID 172860673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).