5-Methoxybenzofuran
PubChem CID: 25943
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| Compound Synonyms | 5-Methoxybenzofuran, 13391-28-1, 5-methoxy-1-benzofuran, BENZOFURAN, 5-METHOXY-, 5-methoxy-benzofuran, R 7236, NSC 149953, BRN 0116721, VSU72383LP, MFCD00079770, NSC-149953, DTXSID40158418, 5-17-04-00203 (Beilstein Handbook Reference), 5-Methoxybenzo[b]furan, UNII-VSU72383LP, SCHEMBL826624, DTXCID0080909, 1-Benzofuran-5-yl methyl ether #, NSC149953, AKOS006342986, SB18213, SY032575, TS-01940, DB-049841, CS-0056827 |
|---|---|
| Topological Polar Surface Area | 22.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-1-benzofuran |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C9H8O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JJXPTUWJVQUHKN-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -3.017 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.858 |
| Compound Name | 5-Methoxybenzofuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 148.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 148.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7470527454545453 |
| Inchi | InChI=1S/C9H8O2/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-6H,1H3 |
| Smiles | COC1=CC2=C(C=C1)OC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients