5-[2-(2,4-Dimethoxyphenyl)ethyl]benzene-1,3-diol
PubChem CID: 24796721
Connections displayed (default: 10).
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| Topological Polar Surface Area | 58.9 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 274.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[2-(2,4-dimethoxyphenyl)ethyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C16H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KHRNSVGIPGSFLY-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.116 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.428 |
| Compound Name | 5-[2-(2,4-Dimethoxyphenyl)ethyl]benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 274.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8597592 |
| Inchi | InChI=1S/C16H18O4/c1-19-15-6-5-12(16(10-15)20-2)4-3-11-7-13(17)9-14(18)8-11/h5-10,17-18H,3-4H2,1-2H3 |
| Smiles | COC1=CC(=C(C=C1)CCC2=CC(=CC(=C2)O)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stemona Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Stemona Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients