| CAS Number | 1212415-10-5 |
| Catalog Number | AG019QL0 |
| Chemical Name | (1S)-1-[4-(2-methylpropoxy)phenyl]ethan-1-ol |
| IUPAC Name | (1S)-1-[4-(2-methylpropoxy)phenyl]ethanol |
| InChI | InChI=1S/C12H18O2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13/h4-7,9-10,13H,8H2,1-3H3/t10-/m0/s1 |
| InChI Key | ISIRRYYGTXHVRQ-JTQLQIEISA-N |
| MDL Number | MFCD09863753 |
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.2701 |
| SMILES | CC(COC1=CC=C([C@@H](O)C)C=C1)C |
| Synonyms | (1S)-1-(4-isobutoxyphenyl)ethanol,
(1S)-1-[4-(2-methylpropoxy)phenyl]ethan-1-ol,
1212415-10-5,
AC1Q1PSJ,
CTK6A8856,
ZINC12506432,
AKOS034825924,
MCULE-8454932503,
NE14570,
EN300-87873,
Z360055938,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number