(2-Methoxyphenyl)methyl 2,3,6-trimethoxybenzoate
PubChem CID: 5319409
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| Topological Polar Surface Area | 63.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-methoxyphenyl)methyl 2,3,6-trimethoxybenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C18H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FRYJOJUPFQFSKZ-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -3.665 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.062 |
| Compound Name | (2-Methoxyphenyl)methyl 2,3,6-trimethoxybenzoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 332.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 332.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7270824000000005 |
| Inchi | InChI=1S/C18H20O6/c1-20-13-8-6-5-7-12(13)11-24-18(19)16-14(21-2)9-10-15(22-3)17(16)23-4/h5-10H,11H2,1-4H3 |
| Smiles | COC1=C(C(=C(C=C1)OC)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