5-[2-(2-Methoxyphenyl)ethyl]-4,6-dimethylbenzene-1,3-diol
PubChem CID: 24796847
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| Topological Polar Surface Area | 49.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 280.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[2-(2-methoxyphenyl)ethyl]-4,6-dimethylbenzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C17H20O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WEJBPOPAORGHIX-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.359 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.525 |
| Compound Name | 5-[2-(2-Methoxyphenyl)ethyl]-4,6-dimethylbenzene-1,3-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 272.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 272.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.310432799999999 |
| Inchi | InChI=1S/C17H20O3/c1-11-14(12(2)16(19)10-15(11)18)9-8-13-6-4-5-7-17(13)20-3/h4-7,10,18-19H,8-9H2,1-3H3 |
| Smiles | CC1=C(C(=C(C=C1O)O)C)CCC2=CC=CC=C2OC |
| 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