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Molecule
1,3-Diphenylpropane
CAS: 1081-75-0 · C15H16
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1081-75-0
- Molecular Formula
- C15H16
- Molecular Mass
- 196.29 g/mol
Identifiers
CAS Registry Number
1081-75-0
SMILES
c1ccc(CCCc2ccccc2)cc1
InChI Key
VEAFKIYNHVBNIP-UHFFFAOYSA-N
InChI
InChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
Names and Synonyms
- 1,3-Diphenylpropane Synonym
- Benzene, 1,1′-(1,3-propanediyl)bis- Synonym
- Propane, 1,3-diphenyl- Synonym
- 1,1′-(1,3-Propanediyl)bis[benzene] Synonym
- 1,3-Diphenylpropane Synonym
- NSC 54371 Synonym
- 3-Phenyl-propyl-benzene Synonym
- 3-Phenylpropylbenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.29 g/mol | CAS Common Chemistry |
| 196.29300000000003 g/mol | RDKit | |
| 196.293 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.9982 g/cm3 @ 17.6 °C | CAS Common Chemistry | |
| Boiling Point | 300.3 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)CCCC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VEAFKIYNHVBNIP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 6 °C | CAS Common Chemistry |
| Name | 1,3-Diphenylpropane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.861900000000003 | RDKit |
| 3.8619 | RDKit | |
| Molar Refractivity | 64.90900000000003 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
180
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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 = 1.000 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H16.
