Methyl 4-fluoro-3-phenoxybenzoate
PubChem CID: 618834
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| Compound Synonyms | Methyl 4-fluoro-3-phenoxybenzoate, 117252-08-1, Benzoic acid, 4-fluoro-3-phenoxy-, methyl ester, DTXSID30347192, 4-FLUORO-3-PHENOXY-BENZOIC ACID METHYL ESTER, DTXCID60298264, JYKULQBXNKHHEF-UHFFFAOYSA-N, Methyl 4-fluoro-3-phenoxybenzoate #, AKOS015962670, Methyl 4-fluoro-3-phenoxybenzoic acid, DB-305932 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 276.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 4-fluoro-3-phenoxybenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C14H11FO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JYKULQBXNKHHEF-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -4.855 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.66 |
| Compound Name | Methyl 4-fluoro-3-phenoxybenzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.069 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 246.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7380027333333326 |
| Inchi | InChI=1S/C14H11FO3/c1-17-14(16)10-7-8-12(15)13(9-10)18-11-5-3-2-4-6-11/h2-9H,1H3 |
| Smiles | COC(=O)C1=CC(=C(C=C1)F)OC2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients