Back to Search
Molecule
2′-Hydroxydihydrochalcone
CAS: 3516-95-8 · C15H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3516-95-8
- Molecular Formula
- C15H14O2
- Molecular Mass
- 226.27 g/mol
Identifiers
CAS Registry Number
3516-95-8
SMILES
O=C(CCc1ccccc1)c1ccccc1O
InChI Key
JCPGMXJLFWGRMZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
Names and Synonyms
- 2′-Hydroxydihydrochalcone Synonym
- 1-Propanone, 1-(2-hydroxyphenyl)-3-phenyl- Synonym
- Propiophenone, 2′-hydroxy-3-phenyl- Synonym
- 1-(2-Hydroxyphenyl)-3-phenyl-1-propanone Synonym
- 1-(o-Hydroxyphenyl)-3-phenylpropanone-1 Synonym
- 2′-Hydroxydihydrochalcone Synonym
- 2-Hydroxy-β-phenylpropiophenone Synonym
- β-Phenyl-2-hydroxypropiophenone Synonym
- 2′-Hydroxy-3-phenylpropiophenone Synonym
- 1-(2-Hydroxyphenyl)-3-phenylpropan-1-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.27 g/mol | CAS Common Chemistry |
| 226.275 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1O)CCC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H14O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JCPGMXJLFWGRMZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 32 °C | CAS Common Chemistry |
| Name | 2′-Hydroxydihydrochalcone | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 3.207700000000002 | RDKit |
| 3.2077 | RDKit | |
| Molar Refractivity | 67.20030000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 226.099379688 g/mol | RDKit |
| Boiling Point | 162.5-163 °C @ 0.5 Torr | CAS Common Chemistry |
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 = 226.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H14O2.
