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Molecule
(±)-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
Identifiers
CAS Registry Number
93602-28-9
SMILES
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21
InChI Key
FTVWIRXFELQLPI-UHFFFAOYSA-N
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
Names and Synonyms
- (±)-Naringenin Synonym
- 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)- Synonym
- 2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one Synonym
- 4′,5,7-Trihydroxyflavanone Synonym
- 5,7,4′-Trihydroxyflavanone Synonym
- (R,S)-Naringenin Synonym
- (±)-Naringenin Synonym
- (RS)-Naringenin Synonym
- (±)-5,7,4′-Trihydroxyflavanone Synonym
- ST 057236 Synonym
- 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chroman-4-one Synonym
- 5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one Synonym
- TCI-CA 03 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 272.26 g/mol | CAS Common Chemistry |
| 272.25600000000003 g/mol | RDKit | |
| 272.256 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 |
| 86.99 Ų | RDKit | |
| LogP | 2.5099000000000014 | RDKit |
| 2.5099 | RDKit | |
| Molar Refractivity | 70.19490000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 272.06847348400004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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MW = 272.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H12O5.
