5-Methoxy-2-phenyl-4H-furo[2,3-h][1]benzopyran-4-one
PubChem CID: 15232378
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| Compound Synonyms | 69722-44-7, CHEMBL3581061, 5-Methoxy-2-phenyl-4H-furo[2,3-h][1]benzopyran-4-one, DTXSID70570321, 5-methoxy-2-phenyl-furo[2,3-h]chromen-4-one |
|---|---|
| Topological Polar Surface Area | 48.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 466.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-2-phenylfuro[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C18H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OETPQDGRJAJHMF-UHFFFAOYSA-N |
| Fcsp3 | 0.0555555555555555 |
| Logs | -6.485 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.217 |
| Compound Name | 5-Methoxy-2-phenyl-4H-furo[2,3-h][1]benzopyran-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 292.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.904388909090909 |
| Inchi | InChI=1S/C18H12O4/c1-20-16-10-15-12(7-8-21-15)18-17(16)13(19)9-14(22-18)11-5-3-2-4-6-11/h2-10H,1H3 |
| Smiles | COC1=C2C(=O)C=C(OC2=C3C=COC3=C1)C4=CC=CC=C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pongamia Pinnata (Plant) Rel Props:Source_db:npass_chem_all