C16H18O4 — CID 143727870
3-(2-hydroxyethyl)-5-[(4-methoxyphenyl)methoxy]phenol (PubChem CID 143727870) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5-[(4-methoxyphenyl)methoxy]phenol.
| Compound Name | 3-(2-hydroxyethyl)-5-[(4-methoxyphenyl)methoxy]phenol |
|---|---|
| PubChem CID | 143727870 |
| Molecular Formula | C16H18O4 |
| Molecular Weight | 274.32 g/mol |
| Exact Mass | 274.12 |
| IUPAC Name | 3-(2-hydroxyethyl)-5-[(4-methoxyphenyl)methoxy]phenol |
| SMILES | COc1ccc(COc2cc(O)cc(CCO)c2)cc1 |
| InChI | InChI=1S/C16H18O4/c1-19-15-4-2-12(3-5-15)11-20-16-9-13(6-7-17)8-14(18)10-16/h2-5,8-10,17-18H,6-7,11H2,1H3 |
| InChIKey | QIUJNANSPZTGSV-UHFFFAOYSA-N |
| XLogP | 2.51 |
| TPSA | 58.92 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 20 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 274.32 |
| LogP ≤ 5 | 2.51 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |