4-Fluoro-alpha-propylbenzenemethanol
PubChem CID: 102471
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| Compound Synonyms | 1-(4-fluorophenyl)butan-1-ol, 704-83-6, Benzenemethanol,4-fluoro-a-propyl-, 4-Fluoro-alpha-propylbenzyl alcohol, 4-Fluoro-alpha-propylbenzenemethanol, EINECS 211-881-8, 1-(4-Fluorophenyl)-1-butanol, 1-(4-FLUOROPHENYL)-BUTANOL, Benzenemethanol, 4-fluoro-alpha-propyl-, FKZ3AU4DM8, SCHEMBL13262326, DTXSID10990605, AKOS010013945, Benzyl alcohol, p-fluoro-alpha-propyl-, SB84783, CS-0363547, NS00042451, DL-4-FLUORO-ALPHA-PROPYLBENZYL ALCOHOL |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 119.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-fluorophenyl)butan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C10H13FO |
| Prediction Swissadme | 1.0 |
| Inchi Key | IRZIMCQXZSILPU-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.268 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.67 |
| Compound Name | 4-Fluoro-alpha-propylbenzenemethanol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 168.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.095 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5795082 |
| Inchi | InChI=1S/C10H13FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10,12H,2-3H2,1H3 |
| Smiles | CCCC(C1=CC=C(C=C1)F)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients