Back to Search
5-Hydroxyflavone
CAS: 491-78-1 | C15H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
491-78-1
Molecular Formula:
C15H10O3
Molecular Mass:
238.24 g/mol
Names and Synonyms:
5-Hydroxyflavone
4H-1-Benzopyran-4-one, 5-hydroxy-2-phenyl-
Flavone, 5-hydroxy-
5-Hydroxy-2-phenyl-4H-1-benzopyran-4-one
5-Hydroxyflavone
5-Hydroxy-2-phenylchromone
Primuletin
NSC 26745
5-Hydroxy-2-phenylchromen-4-one
5-Hydroxy-2-phenyl-4H-chromen-4-one
Identifiers:
SMILES:
O=c1cc(-c2ccccc2)oc2cccc(O)c12
InChI:
InChI=1S/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H
Key Properties
Melting Point
156-157 °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 | 238.24 g/mol | CAS Common Chemistry |
| 238.242 g/mol | RDKit | |
| 238.06299418 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C(OC=2C=CC=C(O)C12)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H | CAS Common Chemistry |
| InChI Key | InChIKey=IYBLVRRCNVHZQJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 156-157 °C | CAS Common Chemistry |
| Name | 5-Hydroxyflavone | 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 | 3 | RDKit |
| Topological Polar Surface Area | 50.44 Ų | RDKit |
| LogP | 3.1656000000000017 | RDKit |
| Molar Refractivity | 69.58480000000002 | RDKit |
