1,2-Bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
PubChem CID: 6426042
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| Compound Synonyms | 1,2-diguaiacylpropane-1,3-diol, 1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol, 4206-59-1, bmse010100, 1,3-Propanediol, 1,2-bis(4-hydroxy-3-methoxyphenyl)-, AC1O511L, CTK1D3457, SCHEMBL24740779, CHEBI:86530, DTXSID30423768, DFUOJBWSSSODTR-UHFFFAOYSA-N, 1-(4-Hydroxy-3-methoxyphenyl)-1,3-dihydroxy-2-(2-methoxyphenoxy)-propan, 1,2-bis(4-hydroxy-3-methoxy-phenyl)propane-1,3-diol, 1,2-bis(4-hydroxy-3-methoxyphenyl)-propane-1,3-diol, Q27159217 |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 352.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Is Pains | False |
| Molecular Formula | C17H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DFUOJBWSSSODTR-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Rotatable Bond Count | 6.0 |
| Compound Name | 1,2-Bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 320.126 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 320.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 320.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6793011565217397 |
| Inchi | InChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3 |
| Smiles | COC1=C(C=CC(=C1)C(CO)C(C2=CC(=C(C=C2)O)OC)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Iwayomogi (Plant) Rel Props:Source_db:cmaup_ingredients