Mol Weight - 166.219
Smiles - COc1ccc(CCCO)cc1
| Property Name | Property Value |
| Mol Name | 3-(4-Methoxyphenyl)-1-Propanol |
| Molweight | 166.219 |
| Monoisotopic Mass | 166.09938 |
| Clogp | 1.8768 |
| Clogs | -1.9 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 143.15 |
| Relative Psa | 0.16137 |
| Polar Surface Area | 29.46 |
| Druglikeness | -7.5408 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.83333 |
| Molecular Flexibility | 0.51604 |
| Molecular Complexity | 0.54302 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 2 |
| Smiles | COc1ccc(CCCO)cc1 |
| InChIKey | InChI=1S/C10H14O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7,11H,2-3,8H2,1H3 |
| InChI | NIIDHUCLROLCBU-UHFFFAOYSA-N |
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1 — 3-(4-Methoxyphenyl)-1-Propanol | 2 — 3-(4-Methoxyphenyl)-1-Propanol