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Molecule
Eriodictyol
CAS: 552-58-9 · C15H12O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 552-58-9
- Molecular Formula
- C15H12O6
- Molecular Mass
- 288.26 g/mol
Identifiers
CAS Registry Number
552-58-9
SMILES
O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21
InChI Key
SBHXYTNGIZCORC-ZDUSSCGKSA-N
InChI
InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
Names and Synonyms
- Eriodictyol Common Name
- 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)- Synonym
- Eriodictyol Synonym
- Flavanone, 3′,4′,5,7-tetrahydroxy- Synonym
- 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (S)- Synonym
- (2S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one Synonym
- (S)-3′,4′,5,7-Tetrahydroxyflavanone Synonym
- (2S)-Eriodictyol Synonym
- Huazhongilexone Synonym
- (+)-Eriodictyol Synonym
- 3′,4′,5,7-Tetrahydroxyflavanone Synonym
- (S)-2,3-Dihydroluteolin Synonym
- (2S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 288.26 g/mol | CAS Common Chemistry |
| 288.25500000000005 g/mol | RDKit | |
| 288.255 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Eriodictyol | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(O)C(O)=C3)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SBHXYTNGIZCORC-ZDUSSCGKSA-N | CAS Common Chemistry |
| Melting Point | 267 °C (decomp) | CAS Common Chemistry |
| Name | (+)-Eriodictyol | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 107.22000000000001 Ų | RDKit |
| 107.22 Ų | RDKit | |
| LogP | 2.215500000000001 | RDKit |
| 2.2155 | RDKit | |
| Molar Refractivity | 71.85970000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 288.063388104 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
160
140
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100
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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.
External Resources
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MW = 288.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H12O6.
