(2S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran
PubChem CID: 101621954
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| Topological Polar Surface Area | 27.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C16H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KEACUMVIRAXAES-INIZCTEOSA-N |
| Fcsp3 | 0.25 |
| Logs | -5.374 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.4 |
| Compound Name | (2S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 256.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8404346210526312 |
| Inchi | InChI=1S/C16H16O3/c1-17-13-5-3-11(4-6-13)16-10-12-9-14(18-2)7-8-15(12)19-16/h3-9,16H,10H2,1-2H3/t16-/m0/s1 |
| Smiles | COC1=CC=C(C=C1)[C@@H]2CC3=C(O2)C=CC(=C3)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corsinia Coriandrina (Plant) Rel Props:Source_db:cmaup_ingredients