Propenyl Guaethol
PubChem CID: 5354280
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| Compound Synonyms | Vanitrope, 94-86-0, Propenylguaethol, 2-Ethoxy-5-(1-propenyl)phenol, Isosafroeugenol, Propenyl guaethol, 2-Ethoxy-5-propenylphenol, trans-2-Ethoxy-5-(1-propenyl)phenol, 6-Ethoxy-m-anol, Hydroxy methyl anethol, 5-propenylguaethol, Hydroxymethyl anethole, 63477-41-8, FEMA No. 2922, Phenol, 2-ethoxy-5-propenyl-, 2-ethoxy-5-[(E)-prop-1-enyl]phenol, 1-Ethoxy-2-hydroxy-4-propenylbenzene, Propenylguaethol [FCC], Propenyl guaethol [II], Propenylguaethol [FHFI], NSC 5194, 2-ethoxy-5-[(1E)-prop-1-en-1-yl]phenol, 2-Ethoxy-5-propenyl-phenol, 2-ethoxy-5-(prop-1-en-1-yl)phenol, JP95W81L3F, NSC5194, PHENOL, 2-ETHOXY-5-(1-PROPENYL)-, NSC-5194, m-Anol, 6-ethoxy-, DTXCID1027716, DTXSID2047727, DTXSID7047726, 3-Propenyl-6-ethoxyphenol, 1-Ethoxy-2-hydroxy-4-propenybenzene, EINECS 202-370-0, BRN 2259898, AI3-25000, PROPENYL GUAETHOL (II), 2-ethoxy-5-((1E)-prop-1-en-1-yl)phenol, UNII-JP95W81L3F, Propenylguaetol, Isosafroeugenole, Propenylguaethole, m-Anol, 6-ethoxy-, m-Anol,6-ethoxy-, MFCD00009283, VANIBON, WLN: 2U1R CQ DO2, DTXCID4032401, FEMA 2922, CHEBI:173836, Tox21_302539, Tox21_303945, BBL018765, STL195347, AKOS015838841, 2-Ethoxy-5-(1-propenyl)phenol, 9CI, AS-9932, CCG-357198, CS-W017326, (E)-2-ethoxy-5-(prop-1-enyl)phenol, 2-Ethoxy-5-[(1E)-1-propenyl]phenol, CAS-94-86-0, Propenyl guaethol, >=99%, FCC, FG, 2-ethoxy-5-[(E)-prop-1-enyl]-phenol, NCGC00256742-01, NCGC00357273-01, (E)-2-Ethoxy-5-(prop-1-en-1-yl)phenol, 1-Ethoxy-2-hydroxy-4-(1-propenyl)benzene, CAS-63477-41-8, E0804, trans-2-Ethoxy-5-(1-propenyl)phenol, 97%, D77808, InChI=1/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Description | Flavouring ingredient |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 165.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethoxy-5-[(E)-prop-1-enyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C11H14O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RADIRXJQODWKGQ-HWKANZROSA-N |
| Fcsp3 | 0.2727272727272727 |
| Logs | -2.525 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.728 |
| Synonyms | 2-Ethoxy-5-(1-propenyl)phenol, 9CI, 2-Ethoxy-5-[(1E)-1-propenyl]phenol, 5-Propenylguaethol, 6-Ethoxy-m-anol, FEMA 2922, Hydroxy methyl anethol, Isosafroeugenol, Isosafroeugenole, Propenyl guaethol, Propenylguaethol, Propenylguaethole, Propenylguaetol, trans-2-Ethoxy-5-(1-propenyl)phenol, Vanitrope |
| Compound Name | Propenyl Guaethol |
| Prediction Hob Swissadme | 1.0 |
| 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 |
| Esol | -3.2368706615384615 |
| Inchi | InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+ |
| Smiles | CCOC1=C(C=C(C=C1)/C=C/C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:cmaup_ingredients