Methyl 3-methoxy-4-(2-methylprop-1-enoxy)benzoate
PubChem CID: 44566829
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| Compound Synonyms | CHEMBL466569 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 3-methoxy-4-(2-methylprop-1-enoxy)benzoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C13H16O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IXBPVFGRYOFBHM-UHFFFAOYSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -4.289 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.565 |
| Compound Name | Methyl 3-methoxy-4-(2-methylprop-1-enoxy)benzoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 236.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 236.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3024318705882347 |
| Inchi | InChI=1S/C13H16O4/c1-9(2)8-17-11-6-5-10(13(14)16-4)7-12(11)15-3/h5-8H,1-4H3 |
| Smiles | CC(=COC1=C(C=C(C=C1)C(=O)OC)OC)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trichocolea Tomentella (Plant) Rel Props:Source_db:cmaup_ingredients