2-Hydroxy-4-methoxy-6-propylbenzoic acid
PubChem CID: 15595747
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| Compound Synonyms | 2-hydroxy-4-methoxy-6-propylbenzoic acid, 6245-56-3, Divaricatinic acid, DTXSID40575409, CHEBI:144239, 2-Propyl-4-methoxy-6-hydroxybenzoesaure |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-4-methoxy-6-propylbenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C11H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | INFZQUVBGYTJCV-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -2.95 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.17 |
| Compound Name | 2-Hydroxy-4-methoxy-6-propylbenzoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 210.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 210.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.033919799999999 |
| Inchi | InChI=1S/C11H14O4/c1-3-4-7-5-8(15-2)6-9(12)10(7)11(13)14/h5-6,12H,3-4H2,1-2H3,(H,13,14) |
| Smiles | CCCC1=C(C(=CC(=C1)OC)O)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scabiosa Tschiliensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Vanilla Planifolia (Plant) Rel Props:Source_db:cmaup_ingredients