| CAS Number | 1157929-94-6 |
| Catalog Number | AG01AFY2 |
| Chemical Name | 1-(2-Methoxy-4-methylphenyl)ethan-1-ol |
| IUPAC Name | 1-(2-methoxy-4-methylphenyl)ethanol |
| InChI | InChI=1S/C10H14O2/c1-7-4-5-9(8(2)11)10(6-7)12-3/h4-6,8,11H,1-3H3 |
| InChI Key | HHALPRVTSRTBPP-UHFFFAOYSA-N |
| MDL Number | MFCD12047711 |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.2170 |
| SMILES | COC1=C(C(O)C)C=CC(C)=C1 |
| Synonyms | 1-(2-methoxy-4-methylphenyl)ethan-1-ol,
1157929-94-6,
1344920-86-0,
(1S)-1-(2-methoxy-4-methylphenyl)ethan-1-ol,
1344927-26-9,
SCHEMBL13345090,
AKOS009940109,
NE54011,
(1R)-1-(2-methoxy-4-methylphenyl)ethan-1-ol,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.22g/mol |
| Monoisotopic Mass | 166.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number