6,7-Dihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromone
PubChem CID: 11748143
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| Compound Synonyms | 6,7-dihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromone, 626236-07-5, HY-N10752, CS-0634410, G88947, (6S,7R)-6,7-dihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 471.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6S,7R)-6,7-dihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KWVBDMMXVYZIIS-JKSUJKDBSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -2.908 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.584 |
| Compound Name | 6,7-Dihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 286.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7392845428571426 |
| Inchi | InChI=1S/C17H18O4/c18-14-8-12(7-6-11-4-2-1-3-5-11)21-17-10-16(20)15(19)9-13(14)17/h1-5,8,15-16,19-20H,6-7,9-10H2/t15-,16+/m0/s1 |
| Smiles | C1[C@@H]([C@@H](CC2=C1C(=O)C=C(O2)CCC3=CC=CC=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients