2,3-Dihydrobenzofuran
PubChem CID: 10329
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,3-DIHYDROBENZOFURAN, 496-16-2, Coumaran, 2,3-dihydrobenzo[b]furan, 2,3-Dihydro-1-benzofuran, Benzofuran, 2,3-dihydro-, Dihydrobenzofuran, Dihydrocoumarone, 2,3-Dihydro-benzofuran, MFCD00005855, Kumaran, EINECS 207-817-3, CHEBI:87607, 2,3-dihydrobenzofurane, COUMARAN [MI], CHEMBL370688, 99E861415L, DTXSID2022040, 2,3-dihydrobenzo(b)furan, UNII-99E861415L, 1,2-dihydrobenzofuran, 2,3-dihydro-benzofura, 2,3-di-hydrobenzofuran, SCHEMBL33192, SCHEMBL155424, 2,3-Dihydro-1-benzofuran #, 2,3-Dihydrobenzofuran, 99%, DTXCID402040, Coumaran (2,3-dihydrobenzofuran), CS-M0160, STR03933, Coumaran, 2,3-Dihydrobenzo[b]furan, BDBM50168006, AKOS000121274, AC-7075, FD11170, PS-4599, HY-75247, SY003884, DB-019755, DB-346445, D1583, NS00031919, EN300-21620, F10902, 2,3-Dihydrobenzofuran, purum, >=97.0% (GC), Q27159770, F0001-1291, Z104505448, 207-817-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Deep Smiles | cccccc6)OCC5 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Coumarans |
| Scaffold Graph Node Level | C1CCC2OCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P05177 |
| Iupac Name | 2,3-dihydro-1-benzofuran |
| Prediction Hob | 1.0 |
| Class | Coumarans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT208 |
| Xlogp | 2.1 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H8O |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HBEDSQVIWPRPAY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.25 |
| Logs | -2.956 |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Logd | 2.236 |
| Synonyms | Coumaran, 2,3-Dihydro-1-benzofuran, 2,3-Dihydro-benzofura, 2,3-Dihydrobenzofurane, Coumaran (2,3-dihydrobenzofuran), Dihydrobenzofuran, Dihydrocoumarone, Kumaran, 2,3-dihydrobenzofuran, 2.3-dihydrobenzofuran, coumaran |
| Esol Class | Soluble |
| Functional Groups | cOC |
| Compound Name | 2,3-Dihydrobenzofuran |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 120.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 120.058 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 120.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.426469533333333 |
| Inchi | InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2 |
| Smiles | C1COC2=CC=CC=C21 |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Coumarans |
| Np Classifier Superclass | Isoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Ageratum Conyzoides (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1198 - 2. Outgoing r'ship
FOUND_INto/from Annona Muricata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698410 - 3. Outgoing r'ship
FOUND_INto/from Campsis Grandiflora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730040304 - 4. Outgoing r'ship
FOUND_INto/from Centella Asiatica (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 5. Outgoing r'ship
FOUND_INto/from Chrysophyllum Cainito (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1116 - 6. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Hierochloe Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060108 - 8. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 10. Outgoing r'ship
FOUND_INto/from Oldenlandia Diffusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Paederia Foetida (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090106 - 12. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Salvia Nemorosa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389 - 14. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389 - 15. Outgoing r'ship
FOUND_INto/from Salvia Pratensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389 - 16. Outgoing r'ship
FOUND_INto/from Salvia Sclarea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389 - 17. Outgoing r'ship
FOUND_INto/from Strophanthus Sarmentosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Tamarindus Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698731 - 19. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all