(1R)-1-[(2S)-5-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-yl]ethanol
PubChem CID: 162884085
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| Topological Polar Surface Area | 38.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R)-1-[(2S)-5-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-yl]ethanol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C14H18O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BBNYZQOGGJAJOL-RNCFNFMXSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -1.642 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.24 |
| Compound Name | (1R)-1-[(2S)-5-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-yl]ethanol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 234.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 234.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0694054705882357 |
| Inchi | InChI=1S/C14H18O3/c1-8(2)13-7-10-11(17-13)5-6-12(16-4)14(10)9(3)15/h5-6,9,13,15H,1,7H2,2-4H3/t9-,13+/m1/s1 |
| Smiles | C[C@H](C1=C(C=CC2=C1C[C@H](O2)C(=C)C)OC)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Buxus Balearica (Plant) Rel Props:Source_db:cmaup_ingredients