| CAS Number | 1186634-29-6 |
| Catalog Number | AG01C1ZJ |
| Chemical Name | [4-(pentan-3-yloxy)phenyl]methanol |
| IUPAC Name | (4-pentan-3-yloxyphenyl)methanol |
| InChI | InChI=1S/C12H18O2/c1-3-11(4-2)14-12-7-5-10(9-13)6-8-12/h5-8,11,13H,3-4,9H2,1-2H3 |
| InChI Key | DBWMXEDVPWZDIO-UHFFFAOYSA-N |
| MDL Number | MFCD23833470 |
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.2701 |
| SMILES | CCC(OC1=CC=C(CO)C=C1)CC |
| Synonyms | [4-(pentan-3-yloxy)phenyl]methanol,
1186634-29-6,
(4-(1-ethylpropoxy)phenyl)methanol,
ZINC87157799,
AKOS018649233,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.274g/mol |
| Monoisotopic Mass | 194.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number