Back to Search
Molecule
4-(Triphenylmethyl)Phenol
CAS: 978-86-9 · C25H20O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 978-86-9
- Molecular Formula
- C25H20O
- Molecular Mass
- 336.43 g/mol
Identifiers
CAS Registry Number
978-86-9
SMILES
Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChI Key
NIPKXTKKYSKEON-UHFFFAOYSA-N
InChI
InChI=1S/C25H20O/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,26H
Names and Synonyms
- 4-(Triphenylmethyl)Phenol Systematic Name
- Phenol, 4-(triphenylmethyl)- Synonym
- p-Cresol, α,α,α-triphenyl- Synonym
- 4-(Triphenylmethyl)phenol Synonym
- 4-Tritylphenol Synonym
- p-Tritylphenol Synonym
- NSC 39742 Synonym
- NSC 56593 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 336.43 g/mol | CAS Common Chemistry |
| 336.434 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1)C(C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C25H20O/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,26H | CAS Common Chemistry |
| InChI Key | InChIKey=NIPKXTKKYSKEON-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 282 °C | CAS Common Chemistry |
| Name | 4-(Triphenylmethyl)phenol | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 5.774900000000005 | RDKit |
| 5.7749 | RDKit | |
| Molar Refractivity | 106.41680000000001 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.04 | RDKit |
| Exact Mass | 336.15141526 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 336.43 g/mol. Edit any field — others recompute live.
