5-Ethenyl-2-methoxyphenol
PubChem CID: 10441857
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| Compound Synonyms | 5-ethenyl-2-methoxyphenol, 621-58-9, 2-methoxy-5-vinylphenol, 5-Vinylguaiacol, SCHEMBL54200, Phenol, 2-methoxy-5-vinyl-, FV66Z7S5H6, Phenol, 5-ethenyl-2-methoxy-, AAA62158, AKOS034086728, EN300-155144, Z1513804703, 863-888-6 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | 5-ethenyl-2-methoxyphenol is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 5-ethenyl-2-methoxyphenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 5-ethenyl-2-methoxyphenol can be found in bilberry and highbush blueberry, which makes 5-ethenyl-2-methoxyphenol a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethenyl-2-methoxyphenol |
| Nih Violation | False |
| Class | Phenols |
| Xlogp | 2.4 |
| Superclass | Benzenoids |
| Is Pains | False |
| Subclass | Methoxyphenols |
| Molecular Formula | C9H10O2 |
| Inchi Key | FXEIWOUGVRUQNK-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-Methoxy-5-vinylphenol, 3-Hydroxy-4-methoxystyrene, 5-ethenyl-2-methoxy-phenol, 5-Ethenyl-2-methoxyphenol, 9CI |
| Compound Name | 5-Ethenyl-2-methoxyphenol |
| Kingdom | Organic compounds |
| Exact Mass | 150.068 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 150.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C9H10O2/c1-3-7-4-5-9(11-2)8(10)6-7/h3-6,10H,1H2,2H3 |
| Smiles | COC1=C(C=C(C=C1)C=C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Methoxyphenols |
- 1. Outgoing r'ship
FOUND_INto/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vaccinium Myrtillus (Plant) Rel Props:Source_db:fooddb_chem_all