(5-Methoxy-2-oxobenzo[h]chromen-8-yl)methyl 3-methylbutanoate
PubChem CID: 101914288
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| Compound Synonyms | CHEMBL3426676 |
|---|---|
| Topological Polar Surface Area | 61.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 526.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5-methoxy-2-oxobenzo[h]chromen-8-yl)methyl 3-methylbutanoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C20H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JABCPDWEZKZNOT-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -6.577 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.985 |
| Compound Name | (5-Methoxy-2-oxobenzo[h]chromen-8-yl)methyl 3-methylbutanoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 340.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 340.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4744250000000005 |
| Inchi | InChI=1S/C20H20O5/c1-12(2)8-19(22)24-11-13-4-5-15-14(9-13)10-17(23-3)16-6-7-18(21)25-20(15)16/h4-7,9-10,12H,8,11H2,1-3H3 |
| Smiles | CC(C)CC(=O)OCC1=CC2=CC(=C3C=CC(=O)OC3=C2C=C1)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Alata (Plant) Rel Props:Source_db:cmaup_ingredients