oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid

C22H22O3P+ — CID 158979600

IUPACoxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid
SMILESCc1cc(C)c(C(=O)O)c(C)c1.O=[P+](c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10OP.C10H12O2/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6-4-7(2)9(10(11)12)8(3)5-6/h1-10H;4-5H,1-3H3,(H,11,12)/q+1;
InChIKeyUHXCUEAJODAUPL-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.77
Rot. Bonds3

About oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid

oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid (PubChem CID 158979600) has the molecular formula C22H22O3P+ and a molecular weight of 365.39 g/mol. Its IUPAC name is oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid.

Molecular Properties

Compound Nameoxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid
PubChem CID158979600
Molecular FormulaC22H22O3P+
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Nameoxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid
SMILESCc1cc(C)c(C(=O)O)c(C)c1.O=[P+](c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10OP.C10H12O2/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6-4-7(2)9(10(11)12)8(3)5-6/h1-10H;4-5H,1-3H3,(H,11,12)/q+1;
InChIKeyUHXCUEAJODAUPL-UHFFFAOYSA-N
XLogP4.77
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone
CID 158212605
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 18432056
methanol;oxo(diphenyl)phosphanium
CID 174996285
oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium
CID 91323174
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
cadmium;oxo(diphenyl)phosphanium
CID 174925548
2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium
CID 157077671
2,4-dimethylnaphthalene-1-carboxylic acid
CID 100912182
diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 161445922
diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium
CID 69491265
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966

Frequently Asked Questions

What is the IUPAC name of oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid?
The IUPAC name of oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid (CID 158979600) is oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid.
What is the SMILES notation for oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid?
The canonical SMILES for oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid is Cc1cc(C)c(C(=O)O)c(C)c1.O=[P+](c1ccccc1)c1ccccc1.
What is the InChIKey of oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid?
The InChIKey is UHXCUEAJODAUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OP.C10H12O2/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6-4-7(2)9(10(11)12)8(3)5-6/h1-10H;4-5H,1-3H3,(H,11,12)/q+1;.
What are the key properties of oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid?
oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid has a molecular weight of 365.39 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid is sourced from PubChem (CID 158979600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).