5-[2-(2,5-Dimethoxyphenyl)ethyl]-4,6-dimethylbenzene-1,3-diol
PubChem CID: 24796848
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| Topological Polar Surface Area | 58.9 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[2-(2,5-dimethoxyphenyl)ethyl]-4,6-dimethylbenzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C18H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FWCJDHPGNJPWJE-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.687 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.529 |
| Compound Name | 5-[2-(2,5-Dimethoxyphenyl)ethyl]-4,6-dimethylbenzene-1,3-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 302.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 302.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.371330363636363 |
| Inchi | InChI=1S/C18H22O4/c1-11-15(12(2)17(20)10-16(11)19)7-5-13-9-14(21-3)6-8-18(13)22-4/h6,8-10,19-20H,5,7H2,1-4H3 |
| Smiles | CC1=C(C(=C(C=C1O)O)C)CCC2=C(C=CC(=C2)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stemona Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients