- InChI
- InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3
- InChI Key
- LZERJKGWTQYMBB-UHFFFAOYSA-N
- Formula
- C17H14O5
- SMILES
-
COc1ccc(-c2cc(=O)c3c(O)cc(OC)c
c3o2)cc1 - Molecular Weight1
- 298.29
- CAS
- 5128-44-9
- Other Names
-
- Flavone, 5-hydroxy-4',7-dimethoxy-
- Apigenin 4',7-dimethyl ether
- Apigenin 7,4'-dimethyl ether
- Genkwanin 4'-methyl ether
- 4',7-Dimethylapigenin
- 5-Hydroxy-4',7-dimethoxyflavone
- 5-Hydroxy-7,4'-dimethoxyflavone
- 4',7-Dimethoxy-5-hydroxy flavone
- 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
- Apigenin, 7,4'-dimethyl
- NSC 94547
- 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-benzopyrone
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8768 | Relay (... Calculated Property | |
| ΔfG° | -264.62 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -489.05 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 135.25 | kJ/mol | Relay (... Calculated Property |
| IE | 7.71 | eV | Relay (... Calculated Property |
| log10WS | -5.29 | Relay (... Calculated Property | |
| logPoct/wat | 3.183 | Crippen Calculated Property | |
| McVol | 212.760 | ml/mol | McGowan Calculated Property |
| Pc | 2765.25 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2964.00; 2964.00] |
|
|
| Inp | 2964.00 | NIST | |
| Inp | 2964.00 | NIST | |
| Tboil | 700.64 | K | Relay (... Calculated Property |
| Tc | 1011.82 | K | Relay (... Calculated Property |
| Tfus | 481.80 | K | Relay (... Calculated Property |
| Vc | 0.788 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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