4,4'-Dihydroxy-3,3',5,alpha-tetramethoxybibenzyl
PubChem CID: 75149948
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| Compound Synonyms | CHEMBL3338080, 4,4'-dihydroxy-3,3',5,alpha-tetramethoxybibenzyl |
|---|---|
| Topological Polar Surface Area | 77.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 351.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-(4-hydroxy-3-methoxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Is Pains | False |
| Molecular Formula | C18H22O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KMEWJFKKURMVAV-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Rotatable Bond Count | 7.0 |
| Compound Name | 4,4'-Dihydroxy-3,3',5,alpha-tetramethoxybibenzyl |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 334.142 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 334.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 334.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5661816 |
| Inchi | InChI=1S/C18H22O6/c1-21-14(7-11-5-6-13(19)15(8-11)22-2)12-9-16(23-3)18(20)17(10-12)24-4/h5-6,8-10,14,19-20H,7H2,1-4H3 |
| Smiles | COC1=CC(=CC(=C1O)OC)C(CC2=CC(=C(C=C2)O)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients