4-(4-Hydroxybenzyl)-2-methoxyphenol
PubChem CID: 15593817
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| Compound Synonyms | 4-(4-hydroxybenzyl)-2-methoxyphenol, SCHEMBL21357334 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 224.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(4-hydroxyphenyl)methyl]-2-methoxyphenol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Is Pains | False |
| Molecular Formula | C14H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IKQDPTYDZBPPPL-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -2.804 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.869 |
| Compound Name | 4-(4-Hydroxybenzyl)-2-methoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 230.094 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 230.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 230.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.337083541176471 |
| Inchi | InChI=1S/C14H14O3/c1-17-14-9-11(4-7-13(14)16)8-10-2-5-12(15)6-3-10/h2-7,9,15-16H,8H2,1H3 |
| Smiles | COC1=C(C=CC(=C1)CC2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gastrodia Elata (Plant) Rel Props:Source_db:cmaup_ingredients