3-Methoxy-5-pentylphenol
PubChem CID: 14757449
Connections displayed (default: 10).
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| Compound Synonyms | 3-methoxy-5-pentylphenol, 3-methoxy-5-pentyl-phenol, CHEMBL503824, 41408-15-5, Methoxyolivetol, 3-methoxy-5-n-pentylphenol, SCHEMBL10654346, MWWIDYNYLZQEQP-UHFFFAOYSA-N, DTXSID601344396, BDBM50555918, DB-136826 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 147.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P35354, P05979, P09917 |
| Iupac Name | 3-methoxy-5-pentylphenol |
| Prediction Hob | 1.0 |
| Target Id | NPT31 |
| Xlogp | 4.0 |
| Molecular Formula | C12H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MWWIDYNYLZQEQP-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.341 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.777 |
| Compound Name | 3-Methoxy-5-pentylphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 194.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 194.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.526441657142857 |
| Inchi | InChI=1S/C12H18O2/c1-3-4-5-6-10-7-11(13)9-12(8-10)14-2/h7-9,13H,3-6H2,1-2H3 |
| Smiles | CCCCCC1=CC(=CC(=C1)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
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