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Molecule
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
Identifiers
CAS Registry Number
20017-67-8
SMILES
OCCC(c1ccccc1)c1ccccc1
InChI Key
IDCXQMVSIIJUEH-UHFFFAOYSA-N
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
Names and Synonyms
- Γ-Phenylbenzenepropanol Common Name
- Benzenepropanol, γ-phenyl- Synonym
- 1-Propanol, 3,3-diphenyl- Synonym
- γ-Phenylbenzenepropanol Synonym
- 3,3-Diphenyl-1-propanol Synonym
- 3,3-Diphenylpropanol Synonym
- NSC 74499 Synonym
- 3,3-Diphenylpropyl alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.29 g/mol | CAS Common Chemistry |
| 212.292 g/mol | RDKit | |
| 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 |
| 3.2009 | RDKit | |
| 3.17 | chempirical lib | |
| Molar Refractivity | 66.42980000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 212.120115132 g/mol | RDKit |
| Boiling Point | 152-154 °C @ 0.3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 212.29 g/mol. Edit any field — others recompute live.
