4-Hydroxybenzene ethanol
PubChem CID: 17785442
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| Compound Synonyms | 4-hydroxybenzene ethanol, SCHEMBL247463 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 48.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethanol, phenol |
| Prediction Hob | 1.0 |
| Molecular Formula | C8H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XXWFDPVOXNJASB-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -0.079 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.337 |
| Compound Name | 4-Hydroxybenzene ethanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 140.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 140.18 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0162284 |
| Inchi | InChI=1S/C6H6O.C2H6O/c7-6-4-2-1-3-5-6, 1-2-3/h1-5,7H, 3H,2H2,1H3 |
| Smiles | CCO.C1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cistanche Tubulosa (Plant) Rel Props:Source_db:cmaup_ingredients