| CAS Number | 54119-38-9 |
| Catalog Number | AG01A621 |
| Chemical Name | 1-(4-Methoxy-2,5-dimethylphenyl)ethan-1-ol |
| IUPAC Name | 1-(4-methoxy-2,5-dimethylphenyl)ethanol |
| InChI | InChI=1S/C11H16O2/c1-7-6-11(13-4)8(2)5-10(7)9(3)12/h5-6,9,12H,1-4H3 |
| InChI Key | PVQULWFDRSTWTG-UHFFFAOYSA-N |
| MDL Number | MFCD14529675 |
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.2435 |
| SMILES | COC1=C(C)C=C(C(O)C)C(C)=C1 |
| Synonyms | 1-(4-methoxy-2,5-dimethylphenyl)ethan-1-ol,
54119-38-9,
1-(4-methoxy-2,5-dimethylphenyl)ethanol,
SCHEMBL9894983,
PVQULWFDRSTWTG-UHFFFAOYSA-N,
AKOS022272176,
NE31073,
|
| Complexity | 158 |
| 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 | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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