4-[(1S)-2-hydroxy-1-methoxyethyl]phenol
PubChem CID: 162988065
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| Topological Polar Surface Area | 49.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 119.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 4-[(1S)-2-hydroxy-1-methoxyethyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C9H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UHDDGONMYAQWBV-SECBINFHSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -0.37 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.928 |
| Compound Name | 4-[(1S)-2-hydroxy-1-methoxyethyl]phenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 168.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 168.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4138904 |
| Inchi | InChI=1S/C9H12O3/c1-12-9(6-10)7-2-4-8(11)5-3-7/h2-5,9-11H,6H2,1H3/t9-/m1/s1 |
| Smiles | CO[C@H](CO)C1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:cmaup_ingredients