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Molecule
Tris(4-Methoxyphenyl)Phosphine
CAS: 855-38-9 · C21H21O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 855-38-9
- Molecular Formula
- C21H21O3P
- Molecular Mass
- 352.37 g/mol
Identifiers
CAS Registry Number
855-38-9
SMILES
COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChI Key
UYUUAUOYLFIRJG-UHFFFAOYSA-N
InChI
InChI=1S/C21H21O3P/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21/h4-15H,1-3H3
Names and Synonyms
- Tris(4-Methoxyphenyl)Phosphine Common Name
- Phosphine, tris(4-methoxyphenyl)- Synonym
- Phosphine, tris(p-methoxyphenyl)- Synonym
- Tris(4-methoxyphenyl)phosphine Synonym
- Tri-p-anisylphosphine Synonym
- Tris(p-methoxyphenyl)phosphine Synonym
- Tris(p-anisyl)phosphine Synonym
- Trianisylphosphine Synonym
- Tri(p-methoxyphenyl)phosphine Synonym
- Tris(4-anisyl)phosphine Synonym
- Tri(4-methoxyphenyl)phosphine Synonym
- NSC 136458 Synonym
- TPAP Synonym
- Tris(4-methoxylphenyl)phosphine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 352.37 g/mol | CAS Common Chemistry |
| 352.3700000000001 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tris(4-methoxyphenyl)phosphine | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1)P(C2=CC=C(OC)C=C2)C3=CC=C(OC)C=C3)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H21O3P/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21/h4-15H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UYUUAUOYLFIRJG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131 °C | CAS Common Chemistry |
| Name | Tris(4-methoxyphenyl)phosphine | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 3.470600000000002 | RDKit |
| 3.4706 | RDKit | |
| Molar Refractivity | 104.80400000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 352.122831162 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 352.37 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C21H21O3P.
