2-[(2S)-4-methoxy-6-phenyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
PubChem CID: 145959276
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| Compound Synonyms | CHEMBL4163919 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[(2S)-4-methoxy-6-phenyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C18H20O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UNPIAIVXZQZBFI-KRWDZBQOSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.113 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.628 |
| Compound Name | 2-[(2S)-4-methoxy-6-phenyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 284.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 284.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.045458142857143 |
| Inchi | InChI=1S/C18H20O3/c1-18(2,19)17-11-14-15(20-3)9-13(10-16(14)21-17)12-7-5-4-6-8-12/h4-10,17,19H,11H2,1-3H3/t17-/m0/s1 |
| Smiles | CC(C)([C@@H]1CC2=C(O1)C=C(C=C2OC)C3=CC=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients