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Diphenylmethanol
CAS: 91-01-0 | C13H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
91-01-0
Molecular Formula:
C13H12O
Molecular Mass:
184.24 g/mol
Names and Synonyms:
Diphenylmethanol
Benzenemethanol, α-phenyl-
Benzhydrol
α-Phenylbenzenemethanol
Diphenylmethanol
Benzohydrol
Diphenylcarbinol
Benzhydryl alcohol
Hydroxydiphenylmethane
Diphenylmethyl alcohol
α-Phenylbenzyl alcohol
NSC 32150
1,1-Diphenylmethanol
Identifiers:
SMILES:
OC(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
Key Properties
Boiling Point
298 °C
CAS Common Chemistry
Melting Point
69 °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 | 184.24 g/mol | CAS Common Chemistry |
| 184.238 g/mol | RDKit | |
| 184.088815004 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenylmethanol | CAS Common Chemistry |
| Boiling Point | 298 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H | CAS Common Chemistry |
| InChI Key | InChIKey=QILSFLSDHQAZET-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 69 °C | CAS Common Chemistry |
| Name | Benzhydrol | CAS Common Chemistry |
| Diphenylmethanol | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.768300000000001 | RDKit |
| Molar Refractivity | 56.945800000000034 | RDKit |
