Back to Search
Molecule
Chrysin
CAS: 480-40-0 · C15H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 480-40-0
- Molecular Formula
- C15H10O4
- Molecular Mass
- 254.24 g/mol
Identifiers
CAS Registry Number
480-40-0
SMILES
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12
InChI Key
RTIXKCRFFJGDFG-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
Names and Synonyms
- Chrysin Synonym
- 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl- Synonym
- Chrysin Synonym
- Flavone, 5,7-dihydroxy- Synonym
- 5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one Synonym
- 5,7-Dihydroxyflavone Synonym
- NSC 407436 Synonym
- Crysin Synonym
- 5,7-Dihydroxy-2-phenylchromen-4-one Synonym
- 5,7-Dihydroxy-2-phenyl-4H-chromen-4-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 254.24 g/mol | CAS Common Chemistry |
| 254.24099999999999 g/mol | RDKit | |
| 254.241 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chrysin | CAS Common Chemistry |
| Canonical SMILES | O=C1C=C(OC=2C=C(O)C=C(O)C12)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | CAS Common Chemistry |
| InChI Key | InChIKey=RTIXKCRFFJGDFG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 285.5 °C | CAS Common Chemistry |
| Name | Chrysin | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 70.67 Ų | RDKit |
| 66.76 Ų | chempirical lib | |
| LogP | 2.8712000000000013 | RDKit |
| 2.8712 | RDKit | |
| Molar Refractivity | 71.24960000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 254.0579088 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 254.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H10O4.
