7-Hydroxy-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-2-one
PubChem CID: 163035030
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C14H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CAYUBWQKHLBAAG-UHFFFAOYSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -4.274 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.197 |
| Compound Name | 7-Hydroxy-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 232.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 232.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4316062705882353 |
| Inchi | InChI=1S/C14H16O3/c1-9(2)3-4-10-7-11-5-6-14(16)17-13(11)8-12(10)15/h3,7-8,15H,4-6H2,1-2H3 |
| Smiles | CC(=CCC1=C(C=C2C(=C1)CCC(=O)O2)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Transmorrisonensis (Plant) Rel Props:Source_db:cmaup_ingredients