4-(1-Hydroxypropyl)phenol
PubChem CID: 53399145
Connections displayed (default: 10).
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 106.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(1-hydroxypropyl)phenol, methane |
| Prediction Hob | 1.0 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JYKBFJULHTUCCM-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.344 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.231 |
| Compound Name | 4-(1-Hydroxypropyl)phenol, methane |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5448632 |
| Inchi | InChI=1S/C9H12O2.CH4/c1-2-9(11)7-3-5-8(10)6-4-7, /h3-6,9-11H,2H2,1H3, 1H4 |
| Smiles | C.CCC(C1=CC=C(C=C1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients