Phenol, 2-methoxy-4-(1-propenyl)-, acetate, (Z)-
PubChem CID: 1715136
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| Compound Synonyms | Isoeugenyl acetate, (Z)-, Phenol, 2-methoxy-4-(1-propenyl)-, acetate, (Z)-, isoeugenyl acetate 2, UNII-J71Y0V5560, 97412-23-2, Phenol, 2-methoxy-4-(1Z)-1-propenyl-, acetate, J71Y0V5560, Phenol, 2-methoxy-4-(1Z)-1-propen-1-yl-, 1-acetate, z-isoeugenol acetate, (Z)-isoeugenyl acetate, isoeugenol acetate (E), 2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl acetate, [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] acetate, SCHEMBL580590, FEMA 2470, 3-methoxy-4-acetoxy-1-cis-propenyl-benzene, Q27281285 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Description | Flavouring ingredient |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 235.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] acetate |
| Nih Violation | False |
| Class | Phenol esters |
| Xlogp | 2.4 |
| Superclass | Benzenoids |
| Is Pains | False |
| Molecular Formula | C12H14O3 |
| Inchi Key | IUSBVFZKQJGVEP-PLNGDYQASA-N |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | FEMA 2470, Isoeugenol acetate, Isoeugenol acetate (e), Isoeugenyl acetate, Isoeugenol acetic acid, 2-Methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl acetic acid, 2-Methoxy-4-prop-1-enylphenyl acetate |
| Compound Name | Phenol, 2-methoxy-4-(1-propenyl)-, acetate, (Z)- |
| Kingdom | Organic compounds |
| Exact Mass | 206.094 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 206.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 206.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4- |
| Smiles | C/C=C\C1=CC(=C(C=C1)OC(=O)C)OC |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Phenol esters |
- 1. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all