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Molecule
4-Phenylphenyl phenyl methanone
CAS: 2128-93-0 · C19H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2128-93-0
- Molecular Formula
- C19H14O
- Molecular Mass
- 258.32 g/mol
Identifiers
CAS Registry Number
2128-93-0
SMILES
O=C(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChI Key
LYXOWKPVTCPORE-UHFFFAOYSA-N
InChI
InChI=1S/C19H14O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
Names and Synonyms
- 4-Phenylphenyl phenyl methanone Synonym
- 4-Phenylbenzophenone Synonym
- Methanone, [1,1′-biphenyl]-4-ylphenyl- Synonym
- Benzophenone, 4-phenyl- Synonym
- [1,1′-Biphenyl]-4-ylphenylmethanone Synonym
- 4-Benzoylbiphenyl Synonym
- 4-Phenylbenzophenone Synonym
- p-Phenylbenzophenone Synonym
- p-Biphenylyl phenyl ketone Synonym
- 4-Biphenylyl phenyl ketone Synonym
- Phenyl p-biphenylyl ketone Synonym
- p-Benzoylbiphenyl Synonym
- Trigonal 12 Synonym
- Eusolex 3490 Synonym
- NSC 55283 Synonym
- NSC 97365 Synonym
- 4-(Phenylcarbonyl)biphenyl Synonym
- Speedcure BPZ Synonym
- (Biphenyl-4-yl)(phenyl)methanone Synonym
- Genocure PBZ Synonym
- Speedcure PBZ Synonym
- 4-Benzoyl-1,1′-biphenyl Synonym
- Runtecure 1059 Synonym
- JRcure PBZ Synonym
- Photoinitiator PBZ Synonym
- Gencure PBZ Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 258.32 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C=2C=CC(=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H14O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H | CAS Common Chemistry |
| InChI Key | InChIKey=LYXOWKPVTCPORE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 102 °C | CAS Common Chemistry |
| Name | 4-Phenylbenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 4.584600000000004 | RDKit |
| 4.5846 | RDKit | |
| Molar Refractivity | 81.75250000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 258.104465068 g/mol | RDKit |
| Boiling Point | 419-420 °C @ 744 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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 = 258.32 g/mol. Edit any field — others recompute live.
