2-Methoxy-5-(1-phenylethenyl)benzene-1,4-diol
PubChem CID: 5315759
Connections displayed (default: 10).
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| Topological Polar Surface Area | 49.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 283.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-5-(1-phenylethenyl)benzene-1,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C15H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CYEIWRDPWBMTKB-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -3.511 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.943 |
| Compound Name | 2-Methoxy-5-(1-phenylethenyl)benzene-1,4-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 | 0.0 |
| Esol | -4.056632133333333 |
| Inchi | InChI=1S/C15H14O3/c1-10(11-6-4-3-5-7-11)12-8-14(17)15(18-2)9-13(12)16/h3-9,16-17H,1H2,2H3 |
| Smiles | COC1=C(C=C(C(=C1)O)C(=C)C2=CC=CC=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients