5-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylbenzene-1,3-diol
PubChem CID: 20730817
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| Compound Synonyms | SCHEMBL18329574 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 269.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylbenzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C15H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IZFXJBZTOTXUMI-NSCUHMNNSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -2.771 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.477 |
| Compound Name | 5-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylbenzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 242.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.902132133333333 |
| Inchi | InChI=1S/C15H14O3/c1-10-14(17)8-12(9-15(10)18)3-2-11-4-6-13(16)7-5-11/h2-9,16-18H,1H3/b3-2+ |
| Smiles | CC1=C(C=C(C=C1O)/C=C/C2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scilla Scilloides (Plant) Rel Props:Source_db:cmaup_ingredients