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Molecule
Naringenin
CAS: 480-41-1 · C15H12O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 480-41-1
- Molecular Formula
- C15H12O5
- Molecular Mass
- 272.26 g/mol
Identifiers
CAS Registry Number
480-41-1
SMILES
O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21
InChI Key
FTVWIRXFELQLPI-ZDUSSCGKSA-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/t13-/m0/s1
Names and Synonyms
- Naringenin Synonym
- 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2S)- Synonym
- Naringenin Synonym
- Flavanone, 4′,5,7-trihydroxy- Synonym
- 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (S)- Synonym
- (2S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one Synonym
- Naringetol Synonym
- Salipurol Synonym
- Salipurpol Synonym
- Naringenine Synonym
- (-)-Naringenin Synonym
- (S)-Naringenin Synonym
- (2S)-Naringenin Synonym
- (-)-(2S)-Naringenin Synonym
- NSC 11855 Synonym
- NSC 34875 Synonym
- S-Dihydrogenistein Synonym
- (2S)-4′,5,7-Trihydroxy-flavanone Synonym
- TCI-N 0072 Synonym
- (2S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one Synonym
- (S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one Synonym
- (2S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one 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 | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Naringenin | CAS Common Chemistry |
| 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/t13-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FTVWIRXFELQLPI-ZDUSSCGKSA-N | CAS Common Chemistry |
| Melting Point | 251 °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
0 ppm
| 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.
