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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 Weight:
261.324 g/mol
Names and Synonyms:
Α,Α-Diphenyl-4-Pyridinemethanol
α-(4-Pyridyl)benzhydrol
α,α-Diphenyl-4-pyridinemethanol
4-Pyridyldiphenylcarbinol
Diphenyl-4-pyridylmethanol
α-Pyridylbenzhydrol
NSC 525212
NSC 241092
4-Pyridinemethanol, α,α-diphenyl-
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 261.324 g/mol | RDKit |
| Exact | Exact Molecular Weight | 261.1153641 g/mol | RDKit |
| Heavy | Heavy Atom Count | 20 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 3 count | RDKit |
| Topological | Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| Physical Properties | LogP | 3.365800000000002 | RDKit |
| molecular_mass | 261.32 g/mol | Legacy Database | |
| cas-canonical-smile | OC(C=1C=CN=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | Legacy Database | |
| cas-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 | Legacy Database | |
| cas-inchi-key | InChIKey=MRHLFZXYRABVOZ-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 203 °C | Legacy Database | |
| cas-name | α,α-Diphenyl-4-pyridinemethanol | Legacy Database | |
| Molar | Molar Refractivity | 79.22180000000004 | RDKit |
