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Molecule
4-Isopropylbiphenyl
CAS: 7116-95-2 · C15H16
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7116-95-2
- Molecular Formula
- C15H16
- Molecular Mass
- 196.29 g/mol
Identifiers
CAS Registry Number
7116-95-2
SMILES
CC(C)c1ccc(-c2ccccc2)cc1
InChI Key
KWSHGRJUSUJPQD-UHFFFAOYSA-N
InChI
InChI=1S/C15H16/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3
Names and Synonyms
- 4-Isopropylbiphenyl Synonym
- 1,1′-Biphenyl, 4-(1-methylethyl)- Synonym
- Biphenyl, 4-isopropyl- Synonym
- 4-(1-Methylethyl)-1,1′-biphenyl Synonym
- p-Isopropylbiphenyl Synonym
- 4-Isopropylbiphenyl Synonym
- 4-Isopropyl-1,1′-biphenyl Synonym
- 4-Isopropyldiphenyl Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.29 g/mol | CAS Common Chemistry |
| 196.293 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9651 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | C=1C=CC(=CC1)C=2C=CC(=CC2)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H16/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KWSHGRJUSUJPQD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 92 °C | CAS Common Chemistry |
| Name | 4-Isopropylbiphenyl | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.477000000000004 | RDKit |
| 4.477 | RDKit | |
| Molar Refractivity | 65.96700000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 196.125200512 g/mol | RDKit |
| Boiling Point | 125-126 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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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Quick conversion
MW = 196.29 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H16.
