3-Undecoxyphenol
PubChem CID: 44559529
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| Compound Synonyms | CHEMBL448186, SCHEMBL22207445 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 194.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-undecoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 6.9 |
| Molecular Formula | C17H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NLMBOMZCRKYRNI-UHFFFAOYSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -5.26 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.39 |
| Compound Name | 3-Undecoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 264.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.321420010526315 |
| Inchi | InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-14-19-17-13-11-12-16(18)15-17/h11-13,15,18H,2-10,14H2,1H3 |
| Smiles | CCCCCCCCCCCOC1=CC=CC(=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aegiceras Corniculatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all