2,5-Dimethoxy-4-(2-propenyl)phenol
PubChem CID: 11052523
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| Compound Synonyms | 2,5-dimethoxy-4-prop-2-enylphenol, 2,5-Dimethoxy-4-(2-propenyl)phenol, 90377-06-3, Phenol, 2,5-dimethoxy-4-(2-propenyl)-, 2,5-dimethoxy-4-prop-2-enyl-phenol, JZ9ZV29736, 2,5-Dimethoxy-4-(2-propen-1-yl)phenol, UNII-JZ9ZV29736, Phenol, 2,5-dimethoxy-4-(2-propen-1-yl)-, 4-Allyl-2,5-dimethoxyphenol, SCHEMBL3486415, DTXSID20453418, CHEBI:173945, 2,5-dimethoxy-4-(prop-2-en-1-yl)phenol, 2,5-Dimethoxy-4-(2-propenyl)phenol, 9CI |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Cinnamic acids and derivatives |
| Deep Smiles | C=CCcccOC))ccc6OC))))O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dimethoxy-4-prop-2-enylphenol |
| Class | Phenols |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.9 |
| Superclass | Benzenoids |
| Subclass | Methoxyphenols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H14O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | WPWFNFQROATLTG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2,5-Dimethoxy-4-(2-propenyl)phenol, 9ci, 4-Allyl-2,5-dimethoxyphenol, 5-methoxyeugenol |
| Esol Class | Soluble |
| Functional Groups | C=CC, cO, cOC |
| Compound Name | 2,5-Dimethoxy-4-(2-propenyl)phenol |
| Kingdom | Organic compounds |
| Exact Mass | 194.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 194.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H14O3/c1-4-5-8-6-11(14-3)9(12)7-10(8)13-2/h4,6-7,12H,1,5H2,2-3H3 |
| Smiles | COC1=CC(=C(C=C1CC=C)OC)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Methoxyphenols |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Sassafras Albidum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279