methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium

C23H24O2P+ — CID 162300033

IUPACmethyl-oxo-(4,4,4-triphenylbutoxy)phosphanium
SMILESC[P+](=O)OCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O2P/c1-26(24)25-19-11-18-23(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17H,11,18-19H2,1H3/q+1
InChIKeyPSNUTQMDVIJBLP-UHFFFAOYSA-N
MW363.42 g/mol
LogP6.19
Rot. Bonds8

About methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium

methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium (PubChem CID 162300033) has the molecular formula C23H24O2P+ and a molecular weight of 363.42 g/mol. Its IUPAC name is methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium.

Molecular Properties

Compound Namemethyl-oxo-(4,4,4-triphenylbutoxy)phosphanium
PubChem CID162300033
Molecular FormulaC23H24O2P+
Molecular Weight363.42 g/mol
Exact Mass363.15
IUPAC Namemethyl-oxo-(4,4,4-triphenylbutoxy)phosphanium
SMILESC[P+](=O)OCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O2P/c1-26(24)25-19-11-18-23(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17H,11,18-19H2,1H3/q+1
InChIKeyPSNUTQMDVIJBLP-UHFFFAOYSA-N
XLogP6.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4,4,4-triphenylbutyl 3-oxobutanoate
CID 174480390
carbonic acid;4,4,4-triphenylbutylphosphane
CID 173313082
tetramethylazanium;4,4,4-triphenylbutoxyboronic acid
CID 19790640
lithium;hydride;4,4,4-triphenylbutoxyboronic acid
CID 173103949
diazanium;dioxido(4,4,4-triphenylbutoxy)borane
CID 67565770
CID 123237849
CID 123237849
13,13,13-triphenyltridecan-1-ol
CID 150406449
phosphane;6,6,6-triphenylhexanoic acid
CID 175595654
CID 158585281
CID 158585281
ethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium
CID 90802212
10,10,10-triphenyldecylphosphanium bromide
CID 69307814
methyl-oxo-phenylmethoxyphosphanium
CID 20566646

Frequently Asked Questions

What is the IUPAC name of methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium?
The IUPAC name of methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium (CID 162300033) is methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium.
What is the SMILES notation for methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium?
The canonical SMILES for methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium is C[P+](=O)OCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium?
The InChIKey is PSNUTQMDVIJBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2P/c1-26(24)25-19-11-18-23(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17H,11,18-19H2,1H3/q+1.
What are the key properties of methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium?
methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium has a molecular weight of 363.42 g/mol, XLogP of 6.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium is sourced from PubChem (CID 162300033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).