Back to Search
Molecule
1,1-Diphenylethanol
CAS: 599-67-7 · C14H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 599-67-7
- Molecular Formula
- C14H14O
- Molecular Mass
- 198.27 g/mol
Identifiers
CAS Registry Number
599-67-7
SMILES
CC(O)(c1ccccc1)c1ccccc1
InChI Key
GIMDPFBLSKQRNP-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15H,1H3
Names and Synonyms
- 1,1-Diphenylethanol Synonym
- Benzenemethanol, α-methyl-α-phenyl- Synonym
- Benzhydrol, α-methyl- Synonym
- α-Methyl-α-phenylbenzenemethanol Synonym
- 1,1-Diphenylethanol Synonym
- 1,1-Diphenyl-1-ethanol Synonym
- α-Methylbenzhydrol Synonym
- Methyldiphenylcarbinol Synonym
- Diphenylmethylcarbinol Synonym
- NSC 33 Synonym
- 1-Hydroxy-1,1-diphenylethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.27 g/mol | CAS Common Chemistry |
| 198.265 g/mol | RDKit | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.1059 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Boiling Point | 260 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C=1C=CC=CC1)(C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H14O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GIMDPFBLSKQRNP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 80-81 °C | CAS Common Chemistry |
| Name | 1,1-Diphenylethanol | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 2.942400000000001 | RDKit |
| 2.9424 | RDKit | |
| 2.78 | chempirical lib | |
| Molar Refractivity | 61.556800000000045 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 198.104465068 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 = 198.27 g/mol; density = 1.110 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H14O.
