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Molecule
Ethyldiphenylphosphine Oxide
CAS: 1733-57-9 · C14H15OP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1733-57-9
- Molecular Formula
- C14H15OP
- Molecular Mass
- 230.25 g/mol
Identifiers
CAS Registry Number
1733-57-9
SMILES
CCP(=O)(c1ccccc1)c1ccccc1
InChI Key
AKTGKEBIBGSCLD-UHFFFAOYSA-N
InChI
InChI=1S/C14H15OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
Names and Synonyms
- Ethyldiphenylphosphine Oxide Synonym
- Phosphine oxide, ethyldiphenyl- Synonym
- Ethyldiphenylphosphine oxide Synonym
- Diphenyl(ethyl)phosphine oxide Synonym
- Diphenylphosphinoethane monoxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 230.25 g/mol | CAS Common Chemistry |
| 230.247 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0749 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=P(C=1C=CC=CC1)(C=2C=CC=CC2)CC | CAS Common Chemistry |
| InChI | InChI=1S/C14H15OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AKTGKEBIBGSCLD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120.5-121 °C | CAS Common Chemistry |
| Name | Ethyldiphenylphosphine oxide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.0204000000000013 | RDKit |
| 3.0204 | RDKit | |
| 3.2 | chempirical lib | |
| Molar Refractivity | 70.29950000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 230.08605172999998 g/mol | RDKit |
| Boiling Point | 176-177 °C @ 13 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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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Quick conversion
MW = 230.25 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H15OP.
