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Molecule
Dihydrochalcone
CAS: 1083-30-3 · C15H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1083-30-3
- Molecular Formula
- C15H14O
- Molecular Mass
- 210.28 g/mol
Identifiers
CAS Registry Number
1083-30-3
SMILES
O=C(CCc1ccccc1)c1ccccc1
InChI Key
QGGZBXOADPVUPN-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
Names and Synonyms
- Dihydrochalcone Synonym
- 1-Propanone, 1,3-diphenyl- Synonym
- Propiophenone, 3-phenyl- Synonym
- Propiophenone, β-phenyl- Synonym
- 1,3-Diphenyl-1-propanone Synonym
- Dihydrochalcone Synonym
- Hydrochalcone Synonym
- Hydrocinnamophenone Synonym
- 2-Phenethyl phenyl ketone Synonym
- 1,3-Diphenyl-1-oxopropane Synonym
- Phenethyl phenyl ketone Synonym
- β-Phenylpropiophenone Synonym
- ω-Benzylacetophenone Synonym
- Benzylacetophenone Synonym
- Phenyl phenethyl ketone Synonym
- 3-Phenylpropiophenone Synonym
- 2-Benzylacetophenone Synonym
- Phenylethyl phenyl ketone Synonym
- 1-Benzoyl-2-phenylethane Synonym
- 2,3-Dihydrobenzalacetophenone Synonym
- NSC 12245 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.28 g/mol | CAS Common Chemistry |
| 210.276 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.0614 g/cm3 @ 23 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dihydrochalcone | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)CCC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QGGZBXOADPVUPN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 72 °C | CAS Common Chemistry |
| Name | Dihydrochalcone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.502100000000002 | RDKit |
| 3.5021 | RDKit | |
| Molar Refractivity | 65.53550000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 210.104465068 g/mol | RDKit |
| Boiling Point | 145-150 °C @ 7 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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
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Quick conversion
MW = 210.28 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H14O.
