6-Allylguaiacol
PubChem CID: 347577
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| Compound Synonyms | o-Eugenol, 2-Allyl-6-methoxyphenol, 579-60-2, 2-methoxy-6-prop-2-enylphenol, 6-Allylguaiacol, Phenol, 2-methoxy-6-(2-propenyl)-, Guaiacol, 6-allyl-, 6-Allylguaicol, Phenol, 2-allyl-6-methoxy-, 6-Allyl-2-methoxyphenol, o-Allylguaiacol, DLL18KX9Q8, EINECS 209-444-1, NSC-406351, Phenol, 2-methoxy-6-(2-propen-1-yl)-, AI3-02467, FEMA NO. 4490, NSC 406351, 2-HYDROXY-3-METHOXY-1-ALLYLBENZENE, 2-METHOXY-6-(PROP-2-EN-1-YL)PHENOL, ortho-eugenol, 2-allyl-6-methoxy-phenol, UNII-DLL18KX9Q8, MFCD00192169, NSC406351, Methoxy-6-Allylphenol, o-Eugenol, 98%, ghl.PD_Mitscher_leg0.513, WLN: 1U2R BQ CO1, SCHEMBL1245192, CHEMBL2271215, DTXSID00862226, CHEBI:232404, AKOS002666095, AS-81676, DB-072394, CS-0453860, G78057, A1-03753, S 2-Amino-1-(4-phenylpiperidin-1-yl)-propan-1-one hydrochloride, InChI=1/C10H12O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3-4,6-7,11H,1,5H2,2H |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-6-prop-2-enylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C10H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LREHGXOCZVBABG-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.351 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.059 |
| Compound Name | 6-Allylguaiacol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 164.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6743647999999998 |
| Inchi | InChI=1S/C10H12O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3-4,6-7,11H,1,5H2,2H3 |
| Smiles | COC1=CC=CC(=C1O)CC=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all