4-Methoxy-9-(3-methylbut-2-enoxymethyl)furo[3,2-g]chromen-7-one
PubChem CID: 162803855
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| Topological Polar Surface Area | 57.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 494.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-9-(3-methylbut-2-enoxymethyl)furo[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C18H18O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VHQGJAZHXRJHQP-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -1.964 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.576 |
| Compound Name | 4-Methoxy-9-(3-methylbut-2-enoxymethyl)furo[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 314.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 314.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9733502695652176 |
| Inchi | InChI=1S/C18H18O5/c1-11(2)6-8-21-10-14-17-13(7-9-22-17)16(20-3)12-4-5-15(19)23-18(12)14/h4-7,9H,8,10H2,1-3H3 |
| Smiles | CC(=CCOCC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients