1-(7-Methoxy-1,3-benzodioxol-5-yl)propan-1-ol
PubChem CID: 14239524
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| Compound Synonyms | CHEMBL456307 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(7-methoxy-1,3-benzodioxol-5-yl)propan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C11H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QXAWUMIJXBTEMR-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -2.117 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.712 |
| Compound Name | 1-(7-Methoxy-1,3-benzodioxol-5-yl)propan-1-ol |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3439197999999997 |
| Inchi | InChI=1S/C11H14O4/c1-3-8(12)7-4-9(13-2)11-10(5-7)14-6-15-11/h4-5,8,12H,3,6H2,1-2H3 |
| Smiles | CCC(C1=CC2=C(C(=C1)OC)OCO2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stellaria Dichotoma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all