3,3',5-Trihydroxy-2'-methoxybibenzyl
PubChem CID: 44156958
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| Compound Synonyms | CHEMBL474811, BDBM246486, 3,3',5-trihydroxy-2'-methoxybibenzyl, 3,3',5-Trihydroxy-2'-methoxybibenzyl (3) |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 261.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P79208, P05979 |
| Iupac Name | 5-[2-(3-hydroxy-2-methoxyphenyl)ethyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C15H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FNNQAZPVTHKZOI-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.407 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.201 |
| Compound Name | 3,3',5-Trihydroxy-2'-methoxybibenzyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 260.279 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.572360221052631 |
| Inchi | InChI=1S/C15H16O4/c1-19-15-11(3-2-4-14(15)18)6-5-10-7-12(16)9-13(17)8-10/h2-4,7-9,16-18H,5-6H2,1H3 |
| Smiles | COC1=C(C=CC=C1O)CCC2=CC(=CC(=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dioscorea Opposita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all