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3,7-Dihydroxyflavone
CAS: 492-00-2 | C15H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
492-00-2
Molecular Formula:
C15H10O4
Molecular Mass:
254.24 g/mol
Names and Synonyms:
3,7-Dihydroxyflavone
4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-phenyl-
Flavone, 3,7-dihydroxy-
3,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one
5-Deoxygalangin
Resogalangin
3,7-Dihydroxyflavone
7-Hydroxyflavonol
3,7-Dihydroxy-2-phenylchromen-4-one
Identifiers:
SMILES:
O=c1c(O)c(-c2ccccc2)oc2cc(O)ccc12
InChI:
InChI=1S/C15H10O4/c16-10-6-7-11-12(8-10)19-15(14(18)13(11)17)9-4-2-1-3-5-9/h1-8,16,18H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 254.24 g/mol | CAS Common Chemistry |
| 254.24099999999999 g/mol | RDKit | |
| 254.0579088 g/mol | RDKit | |
| Canonical SMILES | O=C1C(O)=C(OC2=CC(O)=CC=C12)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H10O4/c16-10-6-7-11-12(8-10)19-15(14(18)13(11)17)9-4-2-1-3-5-9/h1-8,16,18H | CAS Common Chemistry |
| InChI Key | InChIKey=UWQJWDYDYIJWKY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3,7-Dihydroxyflavone | 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 |
| LogP | 2.871200000000001 | RDKit |
| Molar Refractivity | 71.24960000000002 | RDKit |
