Back to Search
(±)-6-Hydroxyflavanone
CAS: 4250-77-5 | C15H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4250-77-5
Molecular Formula:
C15H12O3
Molecular Mass:
240.26 g/mol
Names and Synonyms:
(±)-6-Hydroxyflavanone
4H-1-Benzopyran-4-one, 2,3-dihydro-6-hydroxy-2-phenyl-
Flavanone, 6-hydroxy-
2,3-Dihydro-6-hydroxy-2-phenyl-4H-1-benzopyran-4-one
6-Hydroxyflavanone
(±)-6-Hydroxyflavanone
6-Hydroxy-2-phenylchroman-4-one
CSU-1814
CSU 1814
Identifiers:
SMILES:
O=C1CC(c2ccccc2)Oc2ccc(O)cc21
InChI:
InChI=1S/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2
Key Properties
Melting Point
213-214 °C
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 | 240.26 g/mol | CAS Common Chemistry |
| 240.25799999999998 g/mol | RDKit | |
| 240.078644244 g/mol | RDKit | |
| Canonical SMILES | O=C1C2=CC(O)=CC=C2OC(C=3C=CC=CC3)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XYHWPQUEOOBIOW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 213-214 °C | CAS Common Chemistry |
| Name | (±)-6-Hydroxyflavanone | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 3.098700000000001 | RDKit |
| Molar Refractivity | 66.86530000000002 | RDKit |
