4-[3-(4-Hydroxy-3-methoxyphenyl)propyl]benzene-1,3-diol
PubChem CID: 44130318
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| Topological Polar Surface Area | 69.9 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 284.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[3-(4-hydroxy-3-methoxyphenyl)propyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C16H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WKEPVRNLHWQPGA-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.086 |
| Rotatable Bond Count | 5.0 |
| Logd | 5.227 |
| Compound Name | 4-[3-(4-Hydroxy-3-methoxyphenyl)propyl]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 | -3.9164591999999994 |
| Inchi | InChI=1S/C16H18O4/c1-20-16-9-11(5-8-14(16)18)3-2-4-12-6-7-13(17)10-15(12)19/h5-10,17-19H,2-4H2,1H3 |
| Smiles | COC1=C(C=CC(=C1)CCCC2=C(C=C(C=C2)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Justicia Adhatoda (Plant) Rel Props:Source_db:cmaup_ingredients