5-Methoxy-8-methylbenzo[h]chromen-2-one
PubChem CID: 101914287
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL3426677 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-8-methylbenzo[h]chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C15H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CJBHIYZSORBQMG-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -5.53 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.245 |
| Compound Name | 5-Methoxy-8-methylbenzo[h]chromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 240.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9731551555555553 |
| Inchi | InChI=1S/C15H12O3/c1-9-3-4-11-10(7-9)8-13(17-2)12-5-6-14(16)18-15(11)12/h3-8H,1-2H3 |
| Smiles | CC1=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