Molecule
Diphenylmethanol
CAS: 91-01-0 · C13H12O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 91-01-0
- Molecular Formula
- C13H12O
- Molecular Mass
- 184.24 g/mol
Identifiers
CAS Registry Number
91-01-0
SMILES
OC(c1ccccc1)c1ccccc1
InChI Key
QILSFLSDHQAZET-UHFFFAOYSA-N
InChI
InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
Names and Synonyms
- Diphenylmethanol Synonym
- Benzenemethanol, α-phenyl- Synonym
- Benzhydrol Synonym
- α-Phenylbenzenemethanol Synonym
- Diphenylmethanol Synonym
- Benzohydrol Synonym
- Diphenylcarbinol Synonym
- Benzhydryl alcohol Synonym
- Hydroxydiphenylmethane Synonym
- Diphenylmethyl alcohol Synonym
- α-Phenylbenzyl alcohol Synonym
- NSC 32150 Synonym
- 1,1-Diphenylmethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.24 g/mol | CAS Common Chemistry |
| 184.238 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 |
| 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 |
| 2.7683 | RDKit | |
| Molar Refractivity | 56.945800000000034 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 184.088815004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
| 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
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MW = 184.24 g/mol. Edit any field — others recompute live.
Synthesis
Reactions involving this molecule
Curated and imported reactions where this compound appears as a reactant, catalyst, solvent, or product. Calc-ready entries open the Reaction Scale Calculator pre-anchored on this molecule at 10 mmol; the rest go to the procedure overview.
Related
Related molecules
Other compounds with formula C13H12O.
