4-[8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol
PubChem CID: 102369763
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| Topological Polar Surface Area | 58.9 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 443.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C20H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RXOBZEGNJOADLO-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.357 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.228 |
| Compound Name | 4-[8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2814304 |
| Inchi | InChI=1S/C20H22O4/c1-20(2,22)18-11-15-17(23-18)10-6-13-5-9-16(24-19(13)15)12-3-7-14(21)8-4-12/h3-4,6-8,10,16,18,21-22H,5,9,11H2,1-2H3 |
| Smiles | CC(C)(C1CC2=C(O1)C=CC3=C2OC(CC3)C4=CC=C(C=C4)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brosimum Acutifolium (Plant) Rel Props:Source_db:cmaup_ingredients