6-(1,1-Dimethyl-2-propen-1-yl)-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one
PubChem CID: 162867708
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | DTXSID601146168, 6-(1,1-Dimethyl-2-propen-1-yl)-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one, 1310340-59-0 |
|---|---|
| Topological Polar Surface Area | 48.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 479.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C17H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SHWBOGIBSVIIJS-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -6.447 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.776 |
| Compound Name | 6-(1,1-Dimethyl-2-propen-1-yl)-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 284.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8032234380952383 |
| Inchi | InChI=1S/C17H16O4/c1-5-17(2,3)12-8-11-14(21-16(12)18)9-13-10(6-7-20-13)15(11)19-4/h5-9H,1H2,2-4H3 |
| Smiles | CC(C)(C=C)C1=CC2=C(C=C3C(=C2OC)C=CO3)OC1=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Davallia Solida (Plant) Rel Props:Source_db:cmaup_ingredients