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Molecule
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
Identifiers
CAS Registry Number
76-84-6
SMILES
OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChI Key
LZTRCELOJRDYMQ-UHFFFAOYSA-N
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
Names and Synonyms
- Triphenylmethanol Common Name
- Benzenemethanol, α,α-diphenyl- Synonym
- Methanol, triphenyl- Synonym
- α,α-Diphenylbenzenemethanol Synonym
- Triphenylcarbinol Synonym
- Triphenylmethanol Synonym
- Tritanol Synonym
- Trityl alcohol Synonym
- Triphenylmethyl alcohol Synonym
- BL 3756 Synonym
- Hydroxytriphenylmethane Synonym
- U 45483 Synonym
- NSC 4050 Synonym
- TrtOH Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 260.34 g/mol | CAS Common Chemistry |
| 260.336 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 |
| 3.9708 | RDKit | |
| Molar Refractivity | 81.42680000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0526 | RDKit |
| 0.05 | chempirical lib | |
| Exact Mass | 260.120115132 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 260.34 g/mol. Edit any field — others recompute live.
