4-(3-(4-Hydroxy-2-methoxyphenyl)propyl)-2-(3-methylbut-2-en-1-yl)phenol
PubChem CID: 10958364
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 376362-03-7, 1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxy-3-prenylphenyl)propane, 4-(3-(4-Hydroxy-2-methoxyphenyl)propyl)-2-(3-methylbut-2-en-1-yl)phenol, 4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol, 4-[3-(4-HYDROXY-2-METHOXYPHENYL)PROPYL]-2-(3-METHYLBUT-2-EN-1-YL)PHENOL, CHEMBL463254, SCHEMBL6822048, HY-N1743, AKOS022184615, FS-9843, DB-328581, 1-(4-Hydroxy-2-methoxyphenyl)-3-(4-hydroxy-3-prenylphenyl) |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 389.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P11511 |
| Iupac Name | 4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C21H26O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TXWULZGRVGVEDI-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.4 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.2 |
| Compound Name | 4-(3-(4-Hydroxy-2-methoxyphenyl)propyl)-2-(3-methylbut-2-en-1-yl)phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 326.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.4700032 |
| Inchi | InChI=1S/C21H26O3/c1-15(2)7-9-18-13-16(8-12-20(18)23)5-4-6-17-10-11-19(22)14-21(17)24-3/h7-8,10-14,22-23H,4-6,9H2,1-3H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1)CCCC2=C(C=C(C=C2)O)OC)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all