1-Ethoxy-2-methoxybenzene
PubChem CID: 87170
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| Compound Synonyms | 1-Ethoxy-2-methoxybenzene, 17600-72-5, 2-Ethoxyanisole, Benzene, 1-ethoxy-2-methoxy-, 2-Methoxyphenetole, W6Y3DDU3ZP, EINECS 241-571-8, AI3-20935, DTXSID10170066, ETHYL O-METHOXYPHENYL ETHER, UNII-W6Y3DDU3ZP, ethyl guaiacol, methoxy-phenetole, Guajacol-athylather, MFCD00043552, 1-methoxy-2-ethoxybenzene, SCHEMBL194473, CHEMBL2252472, DTXCID3092557, AKOS015890124, FE70943, BS-15594, CS-0151455, NS00021756, Q27292410, 241-571-8 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | OMONCKYJLBVWOQ-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1-Ethoxy-2-methoxybenzene, 2-Ethoxyanisole, 2-methoxyphenetole, Benzene, 1-ethoxy-2-methoxy-, Ethyl guaiacol |
| Heavy Atom Count | 11.0 |
| Compound Name | 1-Ethoxy-2-methoxybenzene |
| Description | Ethyl guaiacol is a member of the class of compounds known as anisoles. Anisoles are organic compounds containing a methoxybenzene or a derivative thereof. Ethyl guaiacol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ethyl guaiacol can be found in chinese cinnamon, which makes ethyl guaiacol a potential biomarker for the consumption of this food product. |
| Exact Mass | 152.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.084 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 104.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 152.19 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethoxy-2-methoxybenzene |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C9H12O2/c1-3-11-9-7-5-4-6-8(9)10-2/h4-7H,3H2,1-2H3 |
| Smiles | CCOC1=CC=CC=C1OC |
| Xlogp | 2.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C9H12O2 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:fooddb_chem_all