2,5-Dimethoxybenzene-1,4-diol
PubChem CID: 97641
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| Compound Synonyms | 2,5-dimethoxybenzene-1,4-diol, 13239-13-9, 1,4-Benzenediol, 2,5-dimethoxy-, AI3-61031, DTXSID10927653, NSC 139147, 2,5-dimethoxyhydroquinone, SCHEMBL69624, ghl.PD_Mitscher_leg0.1033, DTXCID00985308, NAA23913, 1,4-dihydroxy-3,6-dimethoxybenzene, MFCD24713419, NSC139147, NSC-139147, DS-003702, G65105, EN300-1719689, 823-922-2 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dimethoxybenzene-1,4-diol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Is Pains | False |
| Molecular Formula | C8H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GLJCPHKWYYCHCQ-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 2,5-Dimethoxybenzene-1,4-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 170.058 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 170.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 170.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2401168 |
| Inchi | InChI=1S/C8H10O4/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4,9-10H,1-2H3 |
| Smiles | COC1=CC(=C(C=C1O)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vincetoxicum Pycnostelma (Plant) Rel Props:Source_db:cmaup_ingredients