Hydroquinone diacetate
PubChem CID: 71006
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| Compound Synonyms | 1,4-Diacetoxybenzene, 1205-91-0, Hydroquinone diacetate, 1,4-phenylene diacetate, 1,4-Benzenediol, diacetate, Hydroquinone, diacetate, 4-(Acetyloxy)phenyl acetate, p-Phenylene diacetate, 1,4-Benzenediol, 1,4-diacetate, (4-acetyloxyphenyl) acetate, NSC 9277, p-Phenylene di(acetate), 1,4-BENZENEDIOL DIACETATE, benzene-1,4-diyl diacetate, p-Diacetoxybenzene, NSC-9277, EINECS 214-887-9, MFCD00011643, 18I4277Z6G, AI3-11162, DTXSID30875905, UNII-18I4277Z6G, 1,4-diacetoxy-benzene, 1,4-phenylenediacetate, 1 pound not4-Diacetoxybenzene, SCHEMBL269329, 4-(Acetyloxy)phenyl acetate #, F1037-0015, NSC9277, DTXCID601014022, HMS1786A06, STR03107, STK033177, AKOS000120579, PS-4026, AC-17036, DB-041569, HY-118292, CS-0065623, D1803, EU-0066892, NS00044767, EN300-17071, A24734, D83403, 1,4-Benzenediol diacetate, Hydroquinone diacetate, Q27252007, Z56871713, 1,4-Benzenediacetic acid, 4-Phenylenediacetic acid, 1,4-Phenylenebis(acetic acid) |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Simple phenolic acids |
| Deep Smiles | CC=O)Occcccc6))OC=O)C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Phenol esters |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 192.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4-acetyloxyphenyl) acetate |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H10O4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | AKOGNYJNGMLDOA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1,4-diacetoxybenzene, hydroquinone diacetate, hydroquinone-diacetate |
| Esol Class | Very soluble |
| Functional Groups | cOC(C)=O |
| Compound Name | Hydroquinone diacetate |
| Exact Mass | 194.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 194.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H10O4/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3-6H,1-2H3 |
| Smiles | CC(=O)OC1=CC=C(C=C1)OC(=O)C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenolic acids (C6-C1) |
- 1. Outgoing r'ship
FOUND_INto/from Rhynchosia Minima (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279