2,4'-Dihydroxy-3',5'-dimethoxybibenzyl
PubChem CID: 14731336
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| Compound Synonyms | CHEMBL475651, BDBM50479917, 2,4'-dihydroxy-3',5'-dimethoxybibenzyl |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 270.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P05979, P79208 |
| Iupac Name | 4-[2-(2-hydroxyphenyl)ethyl]-2,6-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C16H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JCRLULKCRHDSOL-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.604 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.185 |
| Compound Name | 2,4'-Dihydroxy-3',5'-dimethoxybibenzyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 274.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7778592 |
| Inchi | InChI=1S/C16H18O4/c1-19-14-9-11(10-15(20-2)16(14)18)7-8-12-5-3-4-6-13(12)17/h3-6,9-10,17-18H,7-8H2,1-2H3 |
| Smiles | COC1=CC(=CC(=C1O)OC)CCC2=CC=CC=C2O |
| 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