2-Methoxy-4-prop-1-enylphenyl acetate
PubChem CID: 876160
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| Compound Synonyms | Acetylisoeugenol, Isoeugenyl acetate, Isoeugenol acetate, 93-29-8, Acetyl isoeugenol, 5912-87-8, Acetisoeugenol, Isoeugenol, acetate, (E)-isoeugenyl acetate, trans-Isoeugenol acetate, 2-Methoxy-4-propenylphenyl acetate, Isoeugenyl acetate, (E)-, 4-Acetoxy-3-methoxy-1-propenylbenzene, Phenol, 2-methoxy-4-(1-propenyl)-, acetate, 1-Acetoxy-2-methoxy-4-(1-propenyl)benzene, Phenol, 2-methoxy-4-(1E)-1-propenyl-, acetate, 2-methoxy-4-(prop-1-en-1-yl)phenyl acetate, 2-Methoxy-4-(1-propenyl)phenyl acetate, PHENOL, 2-METHOXY-4-PROPENYL-, ACETATE, NSC 46121, FEMA No. 2470, 2-Methoxy-4-prop-1-enylphenyl acetate, EINECS 202-236-1, 4-Acetoxy-3-methoxy-1-(1-propen-1-yl)benzene, 7XK69TOK59, CHEBI:86583, Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-acetate, AI3-24267, Phenol, 2-methoxy-4-(1-propenyl)-, acetate, (E)-, Phenol, 2-methoxy-4-(1E)-1-propen-1-yl-, 1-acetate, Phenol, 2-methoxy-4-propenyl-, acetate, (E)-, [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate, 9DF21GI8W6, DTXSID601020590, (E)-2-Methoxy-4-(prop-1-en-1-yl)phenyl acetate, NSC-46121, 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenyl acetate, ISOEUGENYL ACETATE (USP-RS), ISOEUGENYL ACETATE [USP-RS], Isoeugenylacetate, 2-methoxy-4-((1E)-prop-1-en-1-yl)phenyl acetate, DTXSID0052625, bestally, UNII-7XK69TOK59, UNII-9DF21GI8W6, Acetoisoeugenol, 2-Methoxy-4-[(1E)-1-propenyl]phenyl acetate, acetyl iso eugenol, kunshan asia aroma, O-Acetylisoeugenol, iso eugenyl acetate, isoeugenyl acetate 1, MFCD00026984, (E)-Isoeugenol Acetate, isoeugenyl acetate 908, 2-methoxy-4-((1Z)-prop-1-en-1-yl)phenyl acetate, 2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl acetate, bmse010051, MLS000563467, Isoeugenol acetate (Standard), CHEMBL1609480, DTXCID4031198, ISOEUGENYL ACETATE [FCC], HY-N6805R, WLN: 2U1R CO1 DOV1, DTXCID00210581, ISOEUGENYL ACETATE [FHFI], ISOEUGENYL ACETATE [INCI], HMS2225L23, HY-N6805, NSC46121, Acetyl iso-eugenol, Acetylisoeugenol, AKOS015837939, CS-W021012, Isoeugenyl acetate, analytical standard, Isoeugenyl acetate, >=98%, FCC, FG, NCGC00247539-01, BS-51311, SMR000105317, 1-(3-methoxy-4-acetoxyphenyl)-1-propene, 2-Methoxy-4-(propen-1-yl)-phenyl acetate, 2-methoxy-4-(prop-1-en-1-yl)phenylacetate, 4-Acetoxy-3-methoxy-1-propen-1-yl-benzene, A1184, NS00012700, 1-acetoxy-2-methoxy-4-trans-propenyl-benzene, (E)-2-methoxy-4-(prop-1-enyl)phenyl acetate, A00615, 1-Acetoxy-2-methoxy-4-[(E)-1-propenyl]benzene, SR-01000221703, 2-(methyloxy)-4-[(1E)-prop-1-enyl]phenyl acetate, SR-01000221703-1, Q27159265, 202-236-1 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 235.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00811, Q9UNA4, Q13526, Q03431, P53350 |
| Iupac Name | [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate |
| Prediction Hob | 1.0 |
| Class | Phenol esters |
| Xlogp | 2.4 |
| Superclass | Benzenoids |
| Molecular Formula | C12H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IUSBVFZKQJGVEP-SNAWJCMRSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.678 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.749 |
| Synonyms | (e)-Isoeugenyl acetate, Acetylated isoeugenol, trans-Isoeugenol acetate, (e)-Isoeugenyl acetic acid, trans-Isoeugenol acetic acid, Isoeugenyl acetic acid, 2-Methoxy-4-(1-propenyl)phenyl acetate, 2-Methoxy-4-prop-1-enylphenyl acetate, 2-Methoxy-4-propenylphenyl acetate, 4-Acetoxy-3-methoxy-1-(1-propen-1-yl)benzene, 4-Acetoxy-3-methoxy-1-propenylbenzene, Acetisoeugenol, Acetyl isoeugenol, Acetylisoeugenol, Isoeugenol, acetate, Isoeugenylacetate, Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-acetate, Phenol, 2-methoxy-4-(1-propenyl)-, acetate, Phenol, 2-methoxy-4-propenyl-, acetate, Isoeugenol acetate, Isoeugenol acetic acid, Isoeugenyl acetate |
| Compound Name | 2-Methoxy-4-prop-1-enylphenyl acetate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.094 |
| Formal Charge | 0.0 |
| 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 |
| Esol | -3.1540942 |
| 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 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Phenol esters |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all