3-(4-Hydroxy-2,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
PubChem CID: 46883374
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL7189194, CHEMBL1078029 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 3-(4-hydroxy-2,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C18H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SQOAYFPNWVZJQO-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -4.196 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.26 |
| Compound Name | 3-(4-Hydroxy-2,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 316.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.646975556521739 |
| Inchi | InChI=1S/C18H20O5/c1-21-14-6-4-12(5-7-14)16(20)9-8-15-17(22-2)10-13(19)11-18(15)23-3/h4-7,10-11,19H,8-9H2,1-3H3 |
| Smiles | COC1=CC=C(C=C1)C(=O)CCC2=C(C=C(C=C2OC)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Soymida Febrifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all