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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
Names and Synonyms:
1,3-Diphenylpropane
Benzene, 1,1′-(1,3-propanediyl)bis-
Propane, 1,3-diphenyl-
1,1′-(1,3-Propanediyl)bis[benzene]
1,3-Diphenylpropane
NSC 54371
3-Phenyl-propyl-benzene
3-Phenylpropylbenzene
Identifiers:
SMILES:
c1ccc(CCCc2ccccc2)cc1
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
Key Properties
Boiling Point
300.3 °C
CAS Common Chemistry
Melting Point
6 °C
CAS Common Chemistry
Density
1.00 g/cm³
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 | 196.29 g/mol | CAS Common Chemistry |
| 196.29300000000003 g/mol | RDKit | |
| 196.125200512 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.9982 g/cm3 @ Temp: 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 |
| Molar Refractivity | 64.90900000000003 | RDKit |
