5-Methoxy-2,3-dihydro-1-benzofuran
PubChem CID: 11116225
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| Compound Synonyms | 5-methoxy-2,3-dihydro-1-benzofuran, 5-methoxy-2,3-dihydrobenzofuran, 13391-30-5, Benzofuran, 2,3-dihydro-5-methoxy-, SCHEMBL3716710, BEUYIWOWEBGZHX-UHFFFAOYSA-N, 5-methoxy-2,3-dihydro-benzofuran, AKOS016353142, DA-19845, CS-0246414, EN300-325722 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Deep Smiles | COcccccc6)CCO5 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Coumarans |
| Scaffold Graph Node Level | C1CCC2OCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-2,3-dihydro-1-benzofuran |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H10O2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCO2 |
| Inchi Key | BEUYIWOWEBGZHX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 5-methoxy-2,3-dihydrobenzofuran |
| Esol Class | Soluble |
| Functional Groups | cOC |
| Compound Name | 5-Methoxy-2,3-dihydro-1-benzofuran |
| Exact Mass | 150.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H10O2/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-3,6H,4-5H2,1H3 |
| Smiles | COC1=CC2=C(C=C1)OCC2 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Calendula Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1362998