(4-Methoxyphenyl)methyl heptanoate
PubChem CID: 3018185
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| Compound Synonyms | (4-Methoxyphenyl)methyl heptanoate, 71607-51-7, EINECS 275-692-2, Anisyl heptanoate, DTXSID20992170, NS00062843 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 220.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4-methoxyphenyl)methyl heptanoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C15H22O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WXFXWKOGMWSKOV-UHFFFAOYSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -4.985 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.27 |
| Compound Name | (4-Methoxyphenyl)methyl heptanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 250.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5836622666666664 |
| Inchi | InChI=1S/C15H22O3/c1-3-4-5-6-7-15(16)18-12-13-8-10-14(17-2)11-9-13/h8-11H,3-7,12H2,1-2H3 |
| Smiles | CCCCCCC(=O)OCC1=CC=C(C=C1)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients