4-Geranyloxy-5-methyl coumarin
PubChem CID: 129866803
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-geranyloxy-5-methyl coumarin, 4-((2E)-3,7-dimethylocta-2,6-dienoxy)-5-methylchromen-2-one, 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methylchromen-2-one, 84817-93-6 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 509.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methylchromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C20H24O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DYCCFDCWPCLBHV-RVDMUPIBSA-N |
| Fcsp3 | 0.35 |
| Logs | -5.95 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.356 |
| Compound Name | 4-Geranyloxy-5-methyl coumarin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 312.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.4305749304347835 |
| Inchi | InChI=1S/C20H24O3/c1-14(2)7-5-8-15(3)11-12-22-18-13-19(21)23-17-10-6-9-16(4)20(17)18/h6-7,9-11,13H,5,8,12H2,1-4H3/b15-11+ |
| Smiles | CC1=C2C(=CC=C1)OC(=O)C=C2OC/C=C(\C)/CCC=C(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ambrosia Hispida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lonicera Tatarica (Plant) Rel Props:Source_db:cmaup_ingredients