butanoyloxy(triphenyl)phosphanium

C22H22O2P+ — CID 57167471

IUPACbutanoyloxy(triphenyl)phosphanium
SMILESCCCC(=O)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O2P/c1-2-12-22(23)24-25(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h3-11,13-18H,2,12H2,1H3/q+1
InChIKeyAWLUSKTULRIGPU-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.24
Rot. Bonds6

About butanoyloxy(triphenyl)phosphanium

butanoyloxy(triphenyl)phosphanium (PubChem CID 57167471) has the molecular formula C22H22O2P+ and a molecular weight of 349.39 g/mol. Its IUPAC name is butanoyloxy(triphenyl)phosphanium.

Molecular Properties

Compound Namebutanoyloxy(triphenyl)phosphanium
PubChem CID57167471
Molecular FormulaC22H22O2P+
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Namebutanoyloxy(triphenyl)phosphanium
SMILESCCCC(=O)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O2P/c1-2-12-22(23)24-25(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h3-11,13-18H,2,12H2,1H3/q+1
InChIKeyAWLUSKTULRIGPU-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butanoyloxy(triphenyl)phosphanium?
The IUPAC name of butanoyloxy(triphenyl)phosphanium (CID 57167471) is butanoyloxy(triphenyl)phosphanium.
What is the SMILES notation for butanoyloxy(triphenyl)phosphanium?
The canonical SMILES for butanoyloxy(triphenyl)phosphanium is CCCC(=O)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of butanoyloxy(triphenyl)phosphanium?
The InChIKey is AWLUSKTULRIGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2P/c1-2-12-22(23)24-25(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h3-11,13-18H,2,12H2,1H3/q+1.
What are the key properties of butanoyloxy(triphenyl)phosphanium?
butanoyloxy(triphenyl)phosphanium has a molecular weight of 349.39 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanoyloxy(triphenyl)phosphanium is sourced from PubChem (CID 57167471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).