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Α,Α-Diphenyl-4-Pyridinemethanol
CAS: 1620-30-0 | C18H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1620-30-0
Molecular Formula:
C18H15NO
Molecular Mass:
261.32 g/mol
Names and Synonyms:
Α,Α-Diphenyl-4-Pyridinemethanol
4-Pyridinemethanol, α,α-diphenyl-
α,α-Diphenyl-4-pyridinemethanol
Diphenyl-4-pyridylmethanol
4-Pyridyldiphenylcarbinol
α-(4-Pyridyl)benzhydrol
NSC 241092
NSC 525212
α-Pyridylbenzhydrol
Identifiers:
SMILES:
OC(c1ccccc1)(c1ccccc1)c1ccncc1
InChI:
InChI=1S/C18H15NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,20H
Key Properties
Melting Point
203 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 261.32 g/mol | CAS Common Chemistry |
| 261.324 g/mol | RDKit | |
| 261.1153641 g/mol | RDKit | |
| Canonical SMILES | OC(C=1C=CN=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H15NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,20H | CAS Common Chemistry |
| InChI Key | InChIKey=MRHLFZXYRABVOZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 203 °C | CAS Common Chemistry |
| Name | α,α-Diphenyl-4-pyridinemethanol | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| LogP | 3.365800000000002 | RDKit |
| Molar Refractivity | 79.22180000000004 | RDKit |
