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Isoeugenyl methyl ether

PubChem CID: 1549045

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Compound Synonyms cis-Methylisoeugenol, 6380-24-1, cis-Methyl isoeugenol, (Z)-Methylisoeugenol, Isoeugenyl methyl ether, Methylisoeugenol, (Z)-, cis-4-Propenyl veratrole, Methyl isoeugenol, 1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene, O-Methylisoeugenol, (Z)-methyl isoeugenol, 4-Propenyl veratrole, Benzene, 1,2-dimethoxy-4-(1-propenyl)-, (Z)-, 64DPK8DS6F, 4-Prop-1-enylveratrole, 1,2-Dimethoxy-4-propenylbenzene, Benzene, 1,2-dimethoxy-4-propenyl-, (Z)-, CHEBI:50550, Benzene, 1,2-dimethoxy-4-(1-propen-1-yl)-, 1-(3,4-Dimethoxyphenyl)-1-propene, 3,4-Dimethoxypropenylbenzene (VAN), EINECS 202-224-6, BRN 0880472, 1,2-dimethoxy-4-[(1Z)-prop-1-en-1-yl]benzene, 1,2-Dimethoxy-4-(1-propen-1-yl)benzene, AI3-20967, cis-isomethyleugenol, FEMA No. 2476, 1,2-dimethoxy-4-((Z)-prop-1-enyl)benzene, 2-06-00-00918 (Beilstein Handbook Reference), UNII-64DPK8DS6F, UNII-46RN7Q97DE, isoeugenylmethylether, (e)-methyl eugenol, BRN 1911284, trans-Methyl isoeugenol, cis-isoeugenolmethylether, 4-(1-Propenyl)veratrole, cis-isoeugenol methyl ether, ghl.PD_Mitscher_leg0.375, 3-06-00-04995 (Beilstein Handbook Reference), (Z)-O-METHYLISOEUGENOL, 4-CIS-PROPENYLVERATROLE, 46RN7Q97DE, SCHEMBL1760676, CHEMBL1164609, FEMA 2476, DTXSID101026531, 1,2-Dimethoxy-4-propenyl-Benzene, HY-N3591, FEMA NO. 2476, Z-, 3-(3,4-Dimethoxyphenyl)-2-propene, ISOEUGENYL METHYL ETHER, CIS-, 1,2-dimethoxy-4-cis-propenyl-benzene, AKOS025287899, ISOEUGENYL METHYL ETHER [FHFI], FS-8909, VERATROLE, 4-PROPENYL-, CIS-, 1,2-Dimethoxy-4-propenyl-(E)-Benzene, 1ST14251, 1,2-Dimethoxy-4-(1-propenyl)benzene, 9CI, CS-0023905, (Z)-3,4-DIMETHOXY-.BETA.-METHYLSTYRENE, 1,2-DIMETHOXY-4-(1-CIS-PROPENYL)BENZENE, Q27122111, BENZENE, 1,2-DIMETHOXY-4-(1Z)-1-PROPEN-1-YL-
Topological Polar Surface Area 18.5
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 13.0
Description Constituent of essential oils. Flavouring ingredient. Methylisoeugenol is found in many foods, some of which are star anise, sweet basil, wild carrot, and tarragon.
Isotope Atom Count 0.0
Molecular Complexity 165.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene
Prediction Hob 1.0
Class Benzene and substituted derivatives
Xlogp 2.5
Superclass Benzenoids
Subclass Methoxybenzenes
Molecular Formula C11H14O2
Prediction Swissadme 0.0
Inchi Key NNWHUJCUHAELCL-PLNGDYQASA-N
Fcsp3 0.2727272727272727
Rotatable Bond Count 3.0
State Liquid
Synonyms (e)-methyl eugenol, (e)-methyl isoeugenol, (Z)-Methyl isoeugenol, 1-(3,4-Dimethoxyphenyl)-1-propene, 1-Veratryl-1-propene, 1,2-Dimethoxy-4-(1-propenyl)benzene, 9CI, 1,2-Dimethoxy-4-propenyl-(e)-benzene, 1,2-Dimethoxy-4-propenyl-benzene, 1,2-Dimethoxy-4-propenylbenzene, 1,3,4-Isoeugenol methyl ether, 3,4-Dimethoxypropenylbenzene, 4-(1-Propenyl)veratrole, 4-Propenyl-1,2-dimethoxybenzene, 4-Propenylveratrole, 4-trans-Propenylveratrole, Benzene, 1,2-dimethoxy-4-propenyl-, Benzene, 1,2-dimethoxy-4-propenyl-, (E)-, cis-4-Propenyl veratrole, cis-Methyl isoeugenol, FEMA 2476, Isoeugenol methyl ether, Isoeugenyl methyl ether, Isohomogenol, Isomethyleugenol, Methyl isoeugenol, Methylisoeugenol, O-methylisoeugenol, trans-4-Propenylveratrole, Trans-isomethyleugenol, Trans-methyl isoeugenol, (Z)-1,2-Dimethoxy-4-propenylbenzene, (e)-Methyl eugenol, (e)-Methyl isoeugenol, 1,2-Dimethoxy-4-(1-propenyl)benzene, 9ci, O-Methylisoeugenol, trans-Isomethyleugenol, trans-Methyl isoeugenol, 1,2-Dimethoxy-4-(1-e-propenyl)benzene, 1,2-Dimethoxy-4-(1-propenyl)benzene, 1,2-Dimethoxy-4-(1-Z-propenyl)benzene, Isomethyleugenol, (e)-isomer, Isomethyleugenol, (Z)-isomer
Substituent Name O-dimethoxybenzene, Dimethoxybenzene, Phenylpropene, Styrene, Phenol ether, Anisole, Alkyl aryl ether, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound
Compound Name Isoeugenyl methyl ether
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 178.099
Formal Charge 0.0
Monoisotopic Mass 178.099
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 178.23
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Molecular Framework Aromatic homomonocyclic compounds
Esol -3.230570661538461
Inchi InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4-
Smiles C/C=C\C1=CC(=C(C=C1)OC)OC
Defined Bond Stereocenter Count 1.0
Taxonomy Direct Parent Dimethoxybenzenes

  • 1. Outgoing r'ship FOUND_IN to/from Acorus Calamus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Acorus Gramineus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Acorus Tatarinowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Artemisia Dracunculus (Plant) Rel Props:Source_db:fooddb_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Catalpa Bignonioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Cephalonoplos Segetum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Cinnamomum Verum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Esenbeckia Nesiotica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Helipterum Tenellum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Hyptis Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Illicium Difengpi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Ipomoea Cristulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Lens Phaseoloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Lophozonia Menziesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Pancratium Trianthum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Piper Pedicellosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Rhodotypos Scandens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Ribes Fasciculatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Xanthostemon Oppositifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
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