Back to Search
(±)-Naringenin
CAS: 93602-28-9 | C15H12O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
93602-28-9
Molecular Formula:
C15H12O5
Molecular Mass:
272.26 g/mol
Names and Synonyms:
(±)-Naringenin
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-
2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
4′,5,7-Trihydroxyflavanone
5,7,4′-Trihydroxyflavanone
(R,S)-Naringenin
(±)-Naringenin
(RS)-Naringenin
(±)-5,7,4′-Trihydroxyflavanone
ST 057236
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chroman-4-one
5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
TCI-CA 03
Identifiers:
SMILES:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21
InChI:
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2
Key Properties
Melting Point
248 °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 | 272.26 g/mol | CAS Common Chemistry |
| 272.25600000000003 g/mol | RDKit | |
| 272.06847348400004 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(O)C=C3)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FTVWIRXFELQLPI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 248 °C | CAS Common Chemistry |
| Name | (±)-Naringenin | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 86.99000000000001 Ų | RDKit |
| LogP | 2.5099000000000014 | RDKit |
| Molar Refractivity | 70.19490000000002 | RDKit |
