| CAS Number | 854179-04-7 |
| Catalog Number | AG01BBC5 |
| Chemical Name | 1-(2-Methoxyphenyl)-3-methylbutan-1-ol |
| IUPAC Name | 1-(2-methoxyphenyl)-3-methylbutan-1-ol |
| InChI | InChI=1S/C12H18O2/c1-9(2)8-11(13)10-6-4-5-7-12(10)14-3/h4-7,9,11,13H,8H2,1-3H3 |
| InChI Key | WYYHBYUPCJFKBQ-UHFFFAOYSA-N |
| MDL Number | MFCD11935428 |
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.2701 |
| SMILES | COC1=C(C(CC(C)C)O)C=CC=C1 |
| Synonyms | 1-(2-methoxyphenyl)-3-methylbutan-1-ol,
854179-04-7,
2-(1-Hydroxyisoamyl)-1-methoxybenzene,
AC1LBOIH,
1-(2-methoxy-phenyl)-3-methyl-butan-1-ol,
SCHEMBL13760496,
CTK7B0638,
WYYHBYUPCJFKBQ-UHFFFAOYSA-N,
AKOS010016331,
1-(2-Methoxyphenyl)-3-methyl-1-butanol,
1-(2-Methoxyphenyl)-3-methyl-1-butanol #,
Z2092369120,
CID586270,
|
| Complexity | 156 |
| 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 | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number