2',6'-Dihydroxy-4,4'-dimethoxychalcone
PubChem CID: 6438580
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| Compound Synonyms | 2',6'-Dihydroxy-4,4'-dimethoxychalcone, 20621-49-2, Gymnogrammene, 94441-99-3, (E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, (E)-2',6'-Dihydroxy-4,4'-dimethoxychalcone, 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, EINECS 305-324-9, MFCD00017364, SCHEMBL2632343, 2-Propen-1-one, 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-, NXHNEWMDVUHUCV-VMPITWQZSA-N, DTXSID601146849, LMPK12120311, AKOS040760995, 2',6'-Dihydroxy 4',4-dimethoxychalcone, DB-292550, CS-0158834, NS00066287, 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one, (2E)-1-(2,6-Dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 375.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NXHNEWMDVUHUCV-VMPITWQZSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.788 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.281 |
| Compound Name | 2',6'-Dihydroxy-4,4'-dimethoxychalcone |
| 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 | 1.0 |
| Esol | -3.9616583636363636 |
| Inchi | InChI=1S/C17H16O5/c1-21-12-6-3-11(4-7-12)5-8-14(18)17-15(19)9-13(22-2)10-16(17)20/h3-10,19-20H,1-2H3/b8-5+ |
| Smiles | COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2O)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients