2-(4-Methoxyphenyl)-7,7-dimethyl-furo[3,2-g]chromene
PubChem CID: 71579378
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| Compound Synonyms | Gramniphenol G, CHEMBL2333781, 2-(4-methoxyphenyl)-7,7-dimethyl-furo[3,2-g]chromene |
|---|---|
| Topological Polar Surface Area | 31.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 450.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-methoxyphenyl)-7,7-dimethylfuro[3,2-g]chromene |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C20H18O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UDHFTJHEOIOAAC-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -6.594 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.451 |
| Compound Name | 2-(4-Methoxyphenyl)-7,7-dimethyl-furo[3,2-g]chromene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 306.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1644468956521745 |
| Inchi | InChI=1S/C20H18O3/c1-20(2)9-8-14-10-15-11-17(22-18(15)12-19(14)23-20)13-4-6-16(21-3)7-5-13/h4-12H,1-3H3 |
| Smiles | CC1(C=CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC=C(C=C4)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arundina Graminifolia (Plant) Rel Props:Source_db:cmaup_ingredients