2,2'-Benzylidenebis(3-methylbenzofuran)
PubChem CID: 631793
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| Compound Synonyms | 2,2'-Benzylidenebis(3-methylbenzofuran), HXVLNMWFSLLIHE-UHFFFAOYSA-N, 3-Methyl-2-[(3-methyl-1-benzofuran-2-yl)(phenyl)methyl]-1-benzofuran # |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 463.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-2-[(3-methyl-1-benzofuran-2-yl)-phenylmethyl]-1-benzofuran |
| Prediction Hob | 1.0 |
| Xlogp | 6.9 |
| Molecular Formula | C25H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HXVLNMWFSLLIHE-UHFFFAOYSA-N |
| Fcsp3 | 0.12 |
| Logs | -7.2 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.885 |
| Compound Name | 2,2'-Benzylidenebis(3-methylbenzofuran) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 352.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.831862377777778 |
| Inchi | InChI=1S/C25H20O2/c1-16-19-12-6-8-14-21(19)26-24(16)23(18-10-4-3-5-11-18)25-17(2)20-13-7-9-15-22(20)27-25/h3-15,23H,1-2H3 |
| Smiles | CC1=C(OC2=CC=CC=C12)C(C3=CC=CC=C3)C4=C(C5=CC=CC=C5O4)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sinopodophyllum Hexandrum (Plant) Rel Props:Source_db:cmaup_ingredients