| CAS Number | 1181589-27-4 |
| Catalog Number | AG01A4ED |
| Chemical Name | α-Ethyl-2-methoxy-5-methylbenzenemethanol
|
| IUPAC Name | 1-(2-methoxy-5-methylphenyl)propan-1-ol |
| InChI | InChI=1S/C11H16O2/c1-4-10(12)9-7-8(2)5-6-11(9)13-3/h5-7,10,12H,4H2,1-3H3 |
| InChI Key | KOTNNLQJPSBEIM-UHFFFAOYSA-N |
| MDL Number | MFCD11521227 |
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.2435 |
| SMILES | C(CC)(O)c1c(OC)ccc(C)c1 |
| Synonyms | 1-(2-methoxy-5-methylphenyl)propan-1-ol,
1181589-27-4,
1-(2-Methoxy-5-methylphenyl)-1-propanol,
NE22830,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.247g/mol |
| Monoisotopic Mass | 180.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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