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Molecule
2,6-Diphenylphenol
CAS: 2432-11-3 · C18H14O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2432-11-3
- Molecular Formula
- C18H14O
- Molecular Mass
- 246.31 g/mol
Identifiers
CAS Registry Number
2432-11-3
SMILES
Oc1c(-c2ccccc2)cccc1-c1ccccc1
InChI Key
ATGFTMUSEPZNJD-UHFFFAOYSA-N
InChI
InChI=1S/C18H14O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-13,19H
Names and Synonyms
- 2,6-Diphenylphenol Synonym
- [1,1′:3′,1′′-Terphenyl]-2′-ol Synonym
- [m-Terphenyl]-2′-ol Synonym
- Phenol, 2,6-diphenyl- Synonym
- 2,6-Diphenylphenol Synonym
- 2′-Hydroxy-m-terphenyl Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 246.31 g/mol | CAS Common Chemistry |
| 246.309 g/mol | RDKit | |
| Canonical SMILES | OC1=C(C=CC=C1C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H14O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-13,19H | CAS Common Chemistry |
| InChI Key | InChIKey=ATGFTMUSEPZNJD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 101 °C | CAS Common Chemistry |
| Name | 2,6-Diphenylphenol | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 4.726200000000003 | RDKit |
| 4.7262 | RDKit | |
| Molar Refractivity | 78.97880000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 246.104465068 g/mol | RDKit |
| Boiling Point | 230-235 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
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 = 246.31 g/mol. Edit any field — others recompute live.
