Phenol, 2-ethenyl-6-methoxy-
PubChem CID: 183539
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| Compound Synonyms | 2-ethenyl-6-methoxyphenol, Phenol, 2-ethenyl-6-methoxy-, 120550-69-8, vinylguaiacol, Phenol, 2-ethenyl-6-methoxy- (9CI), DTXSID70152904, 2-methoxy-6-vinyl-phenol, SCHEMBL60623, DTXCID7075395, ZMAYRLMREZOVLE-UHFFFAOYSA-N, DB-288448, EN300-1828066 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Cinnamic acids and derivatives |
| Deep Smiles | COcccccc6O))C=C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethenyl-6-methoxyphenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H10O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | ZMAYRLMREZOVLE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-methoxy-6-vinylphenol |
| Esol Class | Soluble |
| Functional Groups | cC=C, cO, cOC |
| Compound Name | Phenol, 2-ethenyl-6-methoxy- |
| Exact Mass | 150.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H10O2/c1-3-7-5-4-6-8(11-2)9(7)10/h3-6,10H,1H2,2H3 |
| Smiles | COC1=CC=CC(=C1O)C=C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Geum Macrophyllum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100309 - 2. Outgoing r'ship
FOUND_INto/from Geum Urbanum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100309