Azuleno[6,5-b]furan, 3,5,8-trimethyl-
PubChem CID: 656393
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| Compound Synonyms | Linderazulene, 489-79-2, azuleno[6,5-b]furan, 3,5,8-trimethyl-, 1,5,8-trimethylazuleno[6,5-b]furan, CHEMBL503851, DTXSID20349625, 10.14272/LMVGRKPOXLBIFQ-UHFFFAOYSA-N.1, doi:10.14272/LMVGRKPOXLBIFQ-UHFFFAOYSA-N.1, Azuleno[6,5-b]furan, 3,5,8-trimethyl- (6CI,7CI,8CI,9CI) |
|---|---|
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 262.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5,8-trimethylazuleno[6,5-b]furan |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C15H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LMVGRKPOXLBIFQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -6.432 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.214 |
| Compound Name | Azuleno[6,5-b]furan, 3,5,8-trimethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 210.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5169612 |
| Inchi | InChI=1S/C15H14O/c1-9-4-5-12-10(2)6-15-14(7-13(9)12)11(3)8-16-15/h4-8H,1-3H3 |
| Smiles | CC1=C2C=C3C(=COC3=CC(=C2C=C1)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all