(4-methoxycarbonylphenyl)-triphenylphosphanium

C26H22O2P+ — CID 19810472

IUPAC(4-methoxycarbonylphenyl)-triphenylphosphanium
SMILESCOC(=O)c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22O2P/c1-28-26(27)21-17-19-25(20-18-21)29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20H,1H3/q+1
InChIKeyCZVQIYPSPQMARC-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.09
Rot. Bonds5

About (4-methoxycarbonylphenyl)-triphenylphosphanium

(4-methoxycarbonylphenyl)-triphenylphosphanium (PubChem CID 19810472) has the molecular formula C26H22O2P+ and a molecular weight of 397.43 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)-triphenylphosphanium.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)-triphenylphosphanium
PubChem CID19810472
Molecular FormulaC26H22O2P+
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name(4-methoxycarbonylphenyl)-triphenylphosphanium
SMILESCOC(=O)c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22O2P/c1-28-26(27)21-17-19-25(20-18-21)29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20H,1H3/q+1
InChIKeyCZVQIYPSPQMARC-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-methoxycarbonylphenyl)-triphenylphosphanium 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

(4-methoxycarbonylphenyl)-methyl-diphenylphosphanium
CID 19831324
methyl benzoate;hydrate
CID 141218240
CID 157228504
CID 157228504
(4-ethoxycarbonylphenyl)-triphenylphosphanium chloride
CID 86174143
(4-acetylphenyl)-triphenylphosphanium
CID 12663643
ethane;methoxymethane;methyl benzoate
CID 90999424
3-methoxycarbonylbenzenesulfonic acid;tetraphenylphosphanium
CID 87593722
bis((4-methoxycarbonylphenyl)methyl-triphenylphosphanium);dibromide;hydrate
CID 139074272
methanol;methyl 4-methylbenzoate;toluene
CID 142226695
anisole;methyl 4-methoxybenzoate
CID 158093995
hexafluoroarsenic(1-);(4-methoxycarbonylphenoxy)-triphenylphosphanium
CID 20503509
methyl 4-(1-phenylethylamino)benzoate
CID 43217232

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl)-triphenylphosphanium?
The IUPAC name of (4-methoxycarbonylphenyl)-triphenylphosphanium (CID 19810472) is (4-methoxycarbonylphenyl)-triphenylphosphanium.
What is the SMILES notation for (4-methoxycarbonylphenyl)-triphenylphosphanium?
The canonical SMILES for (4-methoxycarbonylphenyl)-triphenylphosphanium is COC(=O)c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)-triphenylphosphanium?
The InChIKey is CZVQIYPSPQMARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O2P/c1-28-26(27)21-17-19-25(20-18-21)29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20H,1H3/q+1.
What are the key properties of (4-methoxycarbonylphenyl)-triphenylphosphanium?
(4-methoxycarbonylphenyl)-triphenylphosphanium has a molecular weight of 397.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)-triphenylphosphanium is sourced from PubChem (CID 19810472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).