tributyl(phenoxy)phosphanium

C18H32OP+ — CID 23415293

IUPACtributyl(phenoxy)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)Oc1ccccc1
InChIInChI=1S/C18H32OP/c1-4-7-15-20(16-8-5-2,17-9-6-3)19-18-13-11-10-12-14-18/h10-14H,4-9,15-17H2,1-3H3/q+1
InChIKeyMBNBBGQMGREOMI-UHFFFAOYSA-N
MW295.43 g/mol
LogP6.40
Rot. Bonds11

About tributyl(phenoxy)phosphanium

tributyl(phenoxy)phosphanium (PubChem CID 23415293) has the molecular formula C18H32OP+ and a molecular weight of 295.43 g/mol. Its IUPAC name is tributyl(phenoxy)phosphanium.

Molecular Properties

Compound Nametributyl(phenoxy)phosphanium
PubChem CID23415293
Molecular FormulaC18H32OP+
Molecular Weight295.43 g/mol
Exact Mass295.22
IUPAC Nametributyl(phenoxy)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)Oc1ccccc1
InChIInChI=1S/C18H32OP/c1-4-7-15-20(16-8-5-2,17-9-6-3)19-18-13-11-10-12-14-18/h10-14H,4-9,15-17H2,1-3H3/q+1
InChIKeyMBNBBGQMGREOMI-UHFFFAOYSA-N
XLogP6.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenoxypentan-1-amine
CID 68557687
(1R)-1-phenoxypentane-1-thiol
CID 134536551
undecan-6-yloxybenzene
CID 130316504
tetracosan-8-yloxybenzene
CID 154135377
(2R)-2-phenoxyhexanoic acid
CID 71401043
N,N-diethyl-1-phenoxypentan-1-amine
CID 174914149
hydroxy-phenoxy-dipropylphosphanium
CID 69049666
2-phenoxynonanenitrile
CID 68573362
decan-2-yloxybenzene
CID 12838331
1-cyclopenta-2,4-dien-1-ylpentoxybenzene
CID 11986274
1-phenoxyhexadecan-1-ol
CID 140512988
2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid
CID 137423428

Frequently Asked Questions

What is the IUPAC name of tributyl(phenoxy)phosphanium?
The IUPAC name of tributyl(phenoxy)phosphanium (CID 23415293) is tributyl(phenoxy)phosphanium.
What is the SMILES notation for tributyl(phenoxy)phosphanium?
The canonical SMILES for tributyl(phenoxy)phosphanium is CCCC[P+](CCCC)(CCCC)Oc1ccccc1.
What is the InChIKey of tributyl(phenoxy)phosphanium?
The InChIKey is MBNBBGQMGREOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OP/c1-4-7-15-20(16-8-5-2,17-9-6-3)19-18-13-11-10-12-14-18/h10-14H,4-9,15-17H2,1-3H3/q+1.
What are the key properties of tributyl(phenoxy)phosphanium?
tributyl(phenoxy)phosphanium has a molecular weight of 295.43 g/mol, XLogP of 6.40, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(phenoxy)phosphanium is sourced from PubChem (CID 23415293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).