4-Fluoroguaiacol
PubChem CID: 2737368
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| Compound Synonyms | 4-Fluoro-2-methoxyphenol, 450-93-1, 4-Fluoroguaiacol, MFCD00070797, DTXSID80196359, 4-fluoro-2-methoxy-phenol, 2-methoxy-4-fluorophenol, Phenol, 4-fluoro-2-methoxy-, SCHEMBL1331704, DTXCID40118850, 4-Fluoro-2-methoxyphenol, 97%, AKOS015853562, FF70044, PS-9006, AC-23841, SY027495, F0436, EN300-307740, F20936 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COcccF)ccc6O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-fluoro-2-methoxyphenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H7FO2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | OULGLTLTWBZBLO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | f-apocynin |
| Esol Class | Very soluble |
| Functional Groups | cF, cO, cOC |
| Compound Name | 4-Fluoroguaiacol |
| Exact Mass | 142.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.043 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 142.13 |
| 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/C7H7FO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3 |
| Smiles | COC1=C(C=CC(=C1)F)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Picrorhiza Kurroa (Plant) Rel Props:Reference:https://doi.org/10.1093/database/bav075