(2-Methoxyphenyl)methyl 2,6-dimethoxybenzoate
PubChem CID: 5319408
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| Topological Polar Surface Area | 54.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-methoxyphenyl)methyl 2,6-dimethoxybenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C17H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DEEMMGPYISQBGI-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.499 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.187 |
| Compound Name | (2-Methoxyphenyl)methyl 2,6-dimethoxybenzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 302.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.659457563636364 |
| Inchi | InChI=1S/C17H18O5/c1-19-13-8-5-4-7-12(13)11-22-17(18)16-14(20-2)9-6-10-15(16)21-3/h4-10H,11H2,1-3H3 |
| Smiles | COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC=CC=C2OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Solidago Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients