5-[(2R)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-3,4-dihydrochromen-8-ol
PubChem CID: 137658495
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| Compound Synonyms | CHEMBL4103098 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 451.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5-[(2R)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-3,4-dihydrochromen-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C20H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CYDTZRVKINKYIO-QGZVFWFLSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.222 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.843 |
| Compound Name | 5-[(2R)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-3,4-dihydrochromen-8-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 326.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 326.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7380304 |
| Inchi | InChI=1S/C20H22O4/c1-20(2)10-9-15-14(6-7-16(22)19(15)24-20)17-8-4-12-3-5-13(21)11-18(12)23-17/h3,5-7,11,17,21-22H,4,8-10H2,1-2H3/t17-/m1/s1 |
| Smiles | CC1(CCC2=C(C=CC(=C2O1)O)[C@H]3CCC4=C(O3)C=C(C=C4)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daphne Giraldii (Plant) Rel Props:Source_db:cmaup_ingredients