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Flavone
CAS: 525-82-6 | C15H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 525-82-6
- Molecular Formula
- C15H10O2
- Molecular Mass
- 222.24 g/mol
Identifiers
CAS Registry Number
525-82-6
SMILES
O=c1cc(-c2ccccc2)oc2ccccc12
InChI Key
VHBFFQKBGNRLFZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
Names and Synonyms
- Flavone Synonym
- 4H-1-Benzopyran-4-one, 2-phenyl- Synonym
- Flavone Synonym
- 2-Phenyl-4H-1-benzopyran-4-one Synonym
- 2-Phenyl-γ-benzopyrone Synonym
- 2-Phenylchromone Synonym
- Asmacoril Synonym
- Chromocor Synonym
- Cromaril Synonym
- 2-Phenyl-4-chromone Synonym
- 2-Phenyl-4H-benzopyran-4-one Synonym
- NSC 19028 Synonym
- 94166III Synonym
- 2-Phenyl-4H-chromen-4-one Synonym
- 2-Phenylchromen-4-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.24 g/mol | CAS Common Chemistry |
| 222.243 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.90 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Flavone | CAS Common Chemistry |
| Canonical SMILES | O=C1C=C(OC=2C=CC=CC12)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=VHBFFQKBGNRLFZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 100 °C | CAS Common Chemistry |
| Name | Flavone | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 30.21 Ų | RDKit |
| LogP | 3.4600000000000017 | RDKit |
| 3.46 | RDKit | |
| Molar Refractivity | 67.92000000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 222.06807956 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
Related
Related molecules
Other compounds with formula C15H10O2.
