Back to Search
Molecule
Dihydro-3,3-Diphenyl-2(3H)-Furanone
CAS: 956-89-8 · C16H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 956-89-8
- Molecular Formula
- C16H14O2
- Molecular Mass
- 238.29 g/mol
Identifiers
CAS Registry Number
956-89-8
SMILES
O=C1OCCC1(c1ccccc1)c1ccccc1
InChI Key
IRQJWIUKHLVISG-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O2/c17-15-16(11-12-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
Names and Synonyms
- Dihydro-3,3-Diphenyl-2(3H)-Furanone Synonym
- 2(3H)-Furanone, dihydro-3,3-diphenyl- Synonym
- Butyric acid, 4-hydroxy-2,2-diphenyl-, γ-lactone Synonym
- Dihydro-3,3-diphenyl-2(3H)-furanone Synonym
- α,α-Diphenyl-γ-butyrolactone Synonym
- 3,3-Diphenyltetrahydro-2-furanone Synonym
- 3,3-Diphenyldihydrofuran-2(3H)-one Synonym
- 2,2-Diphenylbutyrolactone Synonym
- 3,3-Diphenyloxolan-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 238.29 g/mol | CAS Common Chemistry |
| 238.28600000000003 g/mol | RDKit | |
| 238.286 g/mol | RDKit | |
| Canonical SMILES | O=C1OCCC1(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C16H14O2/c17-15-16(11-12-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IRQJWIUKHLVISG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 80-81 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Dihydro-3,3-diphenyl-2(3H)-furanone | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.9196000000000017 | RDKit |
| 2.9196 | RDKit | |
| 2.73 | chempirical lib | |
| Molar Refractivity | 69.24000000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1875 | RDKit |
| 0.19 | chempirical lib | |
| Exact Mass | 238.099379688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 238.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H14O2.
Benzyl Cinnamate
CAS 103-41-3
1,2-Bis(4-Methylphenyl)-1,2-Ethanedione
CAS 3457-48-5
2H-1-Benzopyran-2-one, 3,4-dihydro-6-methyl-4-phenyl-
CAS 40546-94-9
1,4-Butanedione, 1,4-diphenyl-
CAS 495-71-6
2-Propen-1-one, 1-(4-methoxyphenyl)-3-phenyl-
CAS 959-23-9
2-Propen-1-one, 3-(4-methoxyphenyl)-1-phenyl-
CAS 959-33-1
