3-(4-hydroxy-2,5-dimethoxyphenyl)-2H-chromen-7-ol
PubChem CID: 11381038
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| Compound Synonyms | 3-(4-hydroxy-2,5-dimethoxyphenyl)-2H-chromen-7-ol, 645394-14-5, Eryvarin H, DTXSID00464168, 2H-1-Benzopyran-7-ol, 3-(4-hydroxy-2,5-dimethoxyphenyl)- |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 410.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-hydroxy-2,5-dimethoxyphenyl)-2H-chromen-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GBKRXXWMGNSTGL-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -4.309 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.339 |
| Compound Name | 3-(4-hydroxy-2,5-dimethoxyphenyl)-2H-chromen-7-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.583358363636364 |
| Inchi | InChI=1S/C17H16O5/c1-20-16-8-14(19)17(21-2)7-13(16)11-5-10-3-4-12(18)6-15(10)22-9-11/h3-8,18-19H,9H2,1-2H3 |
| Smiles | COC1=CC(=C(C=C1C2=CC3=C(C=C(C=C3)O)OC2)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients