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Molecule
Tris(2-Methoxyphenyl)Phosphine
CAS: 4731-65-1 · C21H21O3P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4731-65-1
- Molecular Formula
- C21H21O3P
- Molecular Mass
- 352.37 g/mol
Identifiers
CAS Registry Number
4731-65-1
SMILES
COc1ccccc1P(c1ccccc1OC)c1ccccc1OC
InChI Key
IIOSDXGZLBPOHD-UHFFFAOYSA-N
InChI
InChI=1S/C21H21O3P/c1-22-16-10-4-7-13-19(16)25(20-14-8-5-11-17(20)23-2)21-15-9-6-12-18(21)24-3/h4-15H,1-3H3
Names and Synonyms
- Tris(2-Methoxyphenyl)Phosphine Synonym
- Phosphine, tris(2-methoxyphenyl)- Synonym
- Phosphine, tris(o-methoxyphenyl)- Synonym
- Tris(2-methoxyphenyl)phosphine Synonym
- Tris(o-anisyl)phosphine Synonym
- Tri-o-anisylphosphine Synonym
- Tris(o-methoxyphenyl)phosphine Synonym
- Tri(o-methoxyphenyl)phosphine Synonym
- Tri(2-methoxyphenyl)phosphine Synonym
- NSC 93545 Synonym
- Tris(2-methoxylphenyl)phosphine Synonym
- (o-Meoph)3p Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 352.37 g/mol | CAS Common Chemistry |
| 352.37000000000006 g/mol | RDKit | |
| Canonical SMILES | O(C=1C=CC=CC1P(C=2C=CC=CC2OC)C=3C=CC=CC3OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H21O3P/c1-22-16-10-4-7-13-19(16)25(20-14-8-5-11-17(20)23-2)21-15-9-6-12-18(21)24-3/h4-15H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IIOSDXGZLBPOHD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 204 °C | CAS Common Chemistry |
| Name | Tris(2-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 | 352.12283116199995 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.
