5-Methoxy-2-methylbenzofuran
PubChem CID: 4639349
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5-Methoxy-2-methylbenzofuran, 13391-27-0, 5-methoxy-2-methyl-1-benzofuran, 2-methyl-5-Methoxybenzofuran, 2-Methyl-5-methoxybenzofuran, 5-Methoxy-2-methylbenzo[b]furan, 2-Methyl-5-methoxy-benzofuran, MFCD00619033, SCHEMBL266808, DTXSID70405083, IKUBQGOYKPKCKQ-UHFFFAOYSA-N, AKOS006274233, DS-4420, DB-333078, D78664 |
|---|---|
| Topological Polar Surface Area | 22.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 158.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-2-methyl-1-benzofuran |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C10H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IKUBQGOYKPKCKQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.676 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.11 |
| Compound Name | 5-Methoxy-2-methylbenzofuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 162.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0355656 |
| Inchi | InChI=1S/C10H10O2/c1-7-5-8-6-9(11-2)3-4-10(8)12-7/h3-6H,1-2H3 |
| Smiles | CC1=CC2=C(O1)C=CC(=C2)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pimpinella Thelungiana (Plant) Rel Props:Source_db:cmaup_ingredients