7-(4-Methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
PubChem CID: 21676195
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| Compound Synonyms | CHEMBL4207830 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 583.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C21H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YJDRRALEPJSKSX-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -4.522 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.155 |
| Compound Name | 7-(4-Methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 334.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 334.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3274002000000005 |
| Inchi | InChI=1S/C21H18O4/c1-21(2)9-8-14-10-16-19(11-18(14)25-21)24-12-17(20(16)22)13-4-6-15(23-3)7-5-13/h4-12H,1-3H3 |
| Smiles | CC1(C=CC2=CC3=C(C=C2O1)OC=C(C3=O)C4=CC=C(C=C4)OC)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients