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Γ-Phenylbenzenepropanol
CAS: 20017-67-8 | C15H16O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20017-67-8
Molecular Formula:
C15H16O
Molecular Mass:
212.29 g/mol
Names and Synonyms:
Γ-Phenylbenzenepropanol
Benzenepropanol, γ-phenyl-
1-Propanol, 3,3-diphenyl-
γ-Phenylbenzenepropanol
3,3-Diphenyl-1-propanol
3,3-Diphenylpropanol
NSC 74499
3,3-Diphenylpropyl alcohol
Identifiers:
SMILES:
OCCC(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C15H16O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
Key Properties
Boiling Point
152-154 °C @ Press: 0.3 Torr
CAS Common Chemistry
Melting Point
20-22 °C @ Solvent: Heptane
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 | 212.29 g/mol | CAS Common Chemistry |
| 212.292 g/mol | RDKit | |
| 212.120115132 g/mol | RDKit | |
| Boiling Point | 152-154 °C @ Press: 0.3 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCC(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H16O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IDCXQMVSIIJUEH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 20-22 °C @ Solvent: Heptane | CAS Common Chemistry |
| Name | γ-Phenylbenzenepropanol | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.2009000000000016 | RDKit |
| Molar Refractivity | 66.42980000000004 | RDKit |
