Randaiol
PubChem CID: 13337243
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| Compound Synonyms | Randaiol, 87562-14-9, 2-(2-hydroxy-5-prop-2-enylphenyl)benzene-1,4-diol, 2-(5-allyl-2-hydroxy-phenyl)benzene-1,4-diol, CHEMBL555924, SCHEMBL24922822, 5'-Allyl-2,2',5-biphenyltriol, DTXSID701318736, HY-N1531, MDA56214, AKOS032948971, FS-8678, DA-70176, CS-0017080, [1,1'-Biphenyl]-2,2',5-triol, 5'-(2-propenyl)- |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 279.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-(2-hydroxy-5-prop-2-enylphenyl)benzene-1,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KIQCVMGDSBIIGW-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -2.964 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.307 |
| Compound Name | Randaiol |
| 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 | -3.8739321333333328 |
| Inchi | InChI=1S/C15H14O3/c1-2-3-10-4-6-14(17)12(8-10)13-9-11(16)5-7-15(13)18/h2,4-9,16-18H,1,3H2 |
| Smiles | C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Sassafras Randainense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Streblus Asper (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all