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Triphenylmethanol
CAS: 76-84-6 | C19H16O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
76-84-6
Molecular Formula:
C19H16O
Molecular Mass:
260.34 g/mol
Names and Synonyms:
Triphenylmethanol
Benzenemethanol, α,α-diphenyl-
Methanol, triphenyl-
α,α-Diphenylbenzenemethanol
Triphenylcarbinol
Triphenylmethanol
Tritanol
Trityl alcohol
Triphenylmethyl alcohol
BL 3756
Hydroxytriphenylmethane
U 45483
NSC 4050
TrtOH
Identifiers:
SMILES:
OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H
Key Properties
Boiling Point
380 °C
CAS Common Chemistry
Melting Point
164.2 °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 | 260.34 g/mol | CAS Common Chemistry |
| 260.336 g/mol | RDKit | |
| 260.120115132 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triphenylmethanol | CAS Common Chemistry |
| Boiling Point | 380 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H | CAS Common Chemistry |
| InChI Key | InChIKey=LZTRCELOJRDYMQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 164.2 °C | CAS Common Chemistry |
| Name | Triphenylmethanol | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.970800000000003 | RDKit |
| Molar Refractivity | 81.42680000000004 | RDKit |
