9-(Methoxymethyl)-4-(3-methylbut-2-enoxymethyl)furo[3,2-g]chromen-7-one
PubChem CID: 162818486
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| Topological Polar Surface Area | 57.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 508.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-(methoxymethyl)-4-(3-methylbut-2-enoxymethyl)furo[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C19H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YBUHBSKALIMQTG-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -4.563 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.975 |
| Compound Name | 9-(Methoxymethyl)-4-(3-methylbut-2-enoxymethyl)furo[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 328.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 328.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7752901333333333 |
| Inchi | InChI=1S/C19H20O5/c1-12(2)6-8-22-11-15-13-4-5-17(20)24-19(13)16(10-21-3)18-14(15)7-9-23-18/h4-7,9H,8,10-11H2,1-3H3 |
| Smiles | CC(=CCOCC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)COC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients