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Molecule
1,1-Diphenylpropane
CAS: 1530-03-6 · C15H16
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1530-03-6
- Molecular Formula
- C15H16
- Molecular Mass
- 196.29 g/mol
Identifiers
CAS Registry Number
1530-03-6
SMILES
CCC(c1ccccc1)c1ccccc1
InChI Key
BUZMJVBOGDBMGI-UHFFFAOYSA-N
InChI
InChI=1S/C15H16/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
Names and Synonyms
- 1,1-Diphenylpropane Synonym
- Benzene, 1,1′-propylidenebis- Synonym
- Propane, 1,1-diphenyl- Synonym
- 1,1′-Propylidenebis[benzene] Synonym
- 1,1-Diphenylpropane Synonym
- Propan-1,1-diyldibenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.29 g/mol | CAS Common Chemistry |
| 196.29299999999998 g/mol | RDKit | |
| 196.293 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9881 g/cm3 @ 24 °C | CAS Common Chemistry | |
| Boiling Point | 281.6 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C(C=2C=CC=CC2)CC | CAS Common Chemistry |
| InChI | InChI=1S/C15H16/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BUZMJVBOGDBMGI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 13.3 °C | CAS Common Chemistry |
| Name | 1,1-Diphenylpropane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.228500000000003 | RDKit |
| 4.2285 | RDKit | |
| Molar Refractivity | 65.01800000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 196.125200512 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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 = 196.29 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H16.
