bis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium

C22H32O3P+ — CID 172864581

IUPACbis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium
SMILESCC[P+](O)(Oc1ccccc1C(C)(C)C)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C22H32O3P/c1-8-26(23,24-19-15-11-9-13-17(19)21(2,3)4)25-20-16-12-10-14-18(20)22(5,6)7/h9-16,23H,8H2,1-7H3/q+1
InChIKeyTUCUVMCNGNFJAB-UHFFFAOYSA-N
MW375.47 g/mol
LogP6.51
Rot. Bonds5

About bis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium

bis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium (PubChem CID 172864581) has the molecular formula C22H32O3P+ and a molecular weight of 375.47 g/mol. Its IUPAC name is bis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium.

Molecular Properties

Compound Namebis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium
PubChem CID172864581
Molecular FormulaC22H32O3P+
Molecular Weight375.47 g/mol
Exact Mass375.21
IUPAC Namebis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium
SMILESCC[P+](O)(Oc1ccccc1C(C)(C)C)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C22H32O3P/c1-8-26(23,24-19-15-11-9-13-17(19)21(2,3)4)25-20-16-12-10-14-18(20)22(5,6)7/h9-16,23H,8H2,1-7H3/q+1
InChIKeyTUCUVMCNGNFJAB-UHFFFAOYSA-N
XLogP6.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.51
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

1-tert-butyl-2-pentan-2-yloxybenzene
CID 107888354
(2-tert-butylphenoxy)-di(propan-2-yl)phosphane
CID 11346160
1-tert-butyl-2-(2,2-diethoxyethoxy)benzene
CID 13416777
1-[4-(2-tert-butylphenoxy)phenyl]ethanol
CID 43506360
1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
1-tert-butyl-2-heptoxybenzene
CID 64763672
1-tert-butyl-2-(1-chloro-2-methylpropan-2-yl)oxybenzene
CID 82084597
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
(2-tert-butylphenyl) 2-methylbutan-2-yl carbonate
CID 67161729
tris(1,2-ditert-butylbenzene);methanol
CID 175055057
2-(2-tert-butylphenoxy)acetamide
CID 17051379
3-(2-tert-butylphenoxy)-3-methylbutanoic acid
CID 82087447

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium?
The IUPAC name of bis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium (CID 172864581) is bis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium.
What is the SMILES notation for bis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium?
The canonical SMILES for bis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium is CC[P+](O)(Oc1ccccc1C(C)(C)C)Oc1ccccc1C(C)(C)C.
What is the InChIKey of bis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium?
The InChIKey is TUCUVMCNGNFJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O3P/c1-8-26(23,24-19-15-11-9-13-17(19)21(2,3)4)25-20-16-12-10-14-18(20)22(5,6)7/h9-16,23H,8H2,1-7H3/q+1.
What are the key properties of bis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium?
bis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium has a molecular weight of 375.47 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium is sourced from PubChem (CID 172864581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).