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Molecule
2-(Dicyclohexylphosphino)-2′-Methylbiphenyl
CAS: 251320-86-2 · C25H33P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 251320-86-2
- Molecular Formula
- C25H33P
- Molecular Mass
- 364.51 g/mol
Identifiers
CAS Registry Number
251320-86-2
SMILES
Cc1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChI Key
GPVWUKXZFDHGMZ-UHFFFAOYSA-N
InChI
InChI=1S/C25H33P/c1-20-12-8-9-17-23(20)24-18-10-11-19-25(24)26(21-13-4-2-5-14-21)22-15-6-3-7-16-22/h8-12,17-19,21-22H,2-7,13-16H2,1H3
Names and Synonyms
- 2-(Dicyclohexylphosphino)-2′-Methylbiphenyl Systematic Name
- Phosphine, dicyclohexyl(2′-methyl[1,1′-biphenyl]-2-yl)- Synonym
- Dicyclohexyl(2′-methyl[1,1′-biphenyl]-2-yl)phosphine Synonym
- 2-(Dicyclohexylphosphino)-2′-methylbiphenyl Synonym
- MePhos Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 364.51 g/mol | CAS Common Chemistry |
| 364.51300000000026 g/mol | RDKit | |
| 364.513 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=C(C1)C=2C=CC=CC2C)P(C3CCCCC3)C4CCCCC4 | CAS Common Chemistry |
| InChI | InChI=1S/C25H33P/c1-20-12-8-9-17-23(20)24-18-10-11-19-25(24)26(21-13-4-2-5-14-21)22-15-6-3-7-16-22/h8-12,17-19,21-22H,2-7,13-16H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GPVWUKXZFDHGMZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 109-111 °C | CAS Common Chemistry |
| Name | 2-(Dicyclohexylphosphino)-2′-methylbiphenyl | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 7.434620000000006 | RDKit |
| 7.4346 | RDKit | |
| 7.29 | chempirical lib | |
| Molar Refractivity | 116.91500000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.52 | RDKit |
| Exact Mass | 364.231987686 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 364.51 g/mol. Edit any field — others recompute live.
