3,5-Dihydroxy-4-methoxybibenzyl
PubChem CID: 44572212
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL474797, 3,5-dihydroxy-4-methoxybibenzyl, BDBM246488, 2',4-Dihydroxy-3,5-dihydroxy-4-methoxybibenzyl (6) |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 226.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P05979, P79208 |
| Iupac Name | 2-methoxy-5-(2-phenylethyl)benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C15H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UXZPELIPQAUZMK-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.169 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.469 |
| Compound Name | 3,5-Dihydroxy-4-methoxybibenzyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 244.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7259313333333335 |
| Inchi | InChI=1S/C15H16O3/c1-18-15-13(16)9-12(10-14(15)17)8-7-11-5-3-2-4-6-11/h2-6,9-10,16-17H,7-8H2,1H3 |
| Smiles | COC1=C(C=C(C=C1O)CCC2=CC=CC=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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