| CAS Number | 1523303-48-1 |
| Catalog Number | AG01C1SE |
| Chemical Name | 1-(4-(pentan-3-yloxy)phenyl)ethan-1-ol |
| IUPAC Name | 1-(4-pentan-3-yloxyphenyl)ethanol |
| InChI | InChI=1S/C13H20O2/c1-4-12(5-2)15-13-8-6-11(7-9-13)10(3)14/h6-10,12,14H,4-5H2,1-3H3 |
| InChI Key | WXFUNGQGERAUGR-UHFFFAOYSA-N |
| MDL Number | MFCD23833481 |
| Molecular Formula | C13H20O2 |
| Molecular Weight | 208.2967 |
| SMILES | CCC(OC1=CC=C(C(O)C)C=C1)CC |
| Synonyms | 1-[4-(pentan-3-yloxy)phenyl]ethan-1-ol,
1523303-48-1,
AKOS018650460,
Z1375760621,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.301g/mol |
| Monoisotopic Mass | 208.146g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number