3-(5-methoxy-2,2-dimethylchromen-8-yl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID: 101666685
Connections displayed (default: 10).
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| Topological Polar Surface Area | 47.9 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 502.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(5-methoxy-2,2-dimethylchromen-8-yl)-3,4-dihydro-2H-chromen-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C21H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MPNLCWDBGXOCFP-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.89 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.822 |
| Compound Name | 3-(5-methoxy-2,2-dimethylchromen-8-yl)-3,4-dihydro-2H-chromen-7-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 338.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.813598600000001 |
| Inchi | InChI=1S/C21H22O4/c1-21(2)9-8-17-18(23-3)7-6-16(20(17)25-21)14-10-13-4-5-15(22)11-19(13)24-12-14/h4-9,11,14,22H,10,12H2,1-3H3 |
| Smiles | CC1(C=CC2=C(C=CC(=C2O1)C3CC4=C(C=C(C=C4)O)OC3)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Sp (Plant) Rel Props:Source_db:cmaup_ingredients