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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
Names and Synonyms:
Dihydrochalcone
1-Propanone, 1,3-diphenyl-
Propiophenone, 3-phenyl-
Propiophenone, β-phenyl-
1,3-Diphenyl-1-propanone
Dihydrochalcone
Hydrochalcone
Hydrocinnamophenone
2-Phenethyl phenyl ketone
1,3-Diphenyl-1-oxopropane
Phenethyl phenyl ketone
β-Phenylpropiophenone
ω-Benzylacetophenone
Benzylacetophenone
Phenyl phenethyl ketone
3-Phenylpropiophenone
2-Benzylacetophenone
Phenylethyl phenyl ketone
1-Benzoyl-2-phenylethane
2,3-Dihydrobenzalacetophenone
NSC 12245
Identifiers:
SMILES:
O=C(CCc1ccccc1)c1ccccc1
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
Key Properties
Boiling Point
145-150 °C @ Press: 7 Torr
CAS Common Chemistry
Melting Point
72 °C
CAS Common Chemistry
Density
1.06 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.28 g/mol | CAS Common Chemistry |
| 210.276 g/mol | RDKit | |
| 210.104465068 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.0614 g/cm3 @ Temp: 23 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dihydrochalcone | CAS Common Chemistry |
| Boiling Point | 145-150 °C @ Press: 7 Torr | 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 |
| Molar Refractivity | 65.53550000000004 | RDKit |
