Hydroxyconiferyl alcohol
PubChem CID: 129190613
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| Compound Synonyms | hydroxyconiferyl alcohol, SCHEMBL18923479 |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 191.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-ene-1,1-diol |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C10H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DRCMWVWTOXMZDN-HWKANZROSA-N |
| Fcsp3 | 0.2 |
| Logs | -0.515 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.685 |
| Compound Name | Hydroxyconiferyl alcohol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 196.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 196.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.956795257142857 |
| Inchi | InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,10-13H,1H3/b5-3+ |
| Smiles | COC1=C(C=CC(=C1)/C=C/C(O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients