2,5-Dimethoxy-α,α-dimethylbenzenemethanol - CAS 72667-90-4
Catalog: |
BB067132 |
Product Name: |
2,5-Dimethoxy-α,α-dimethylbenzenemethanol |
CAS: |
72667-90-4 |
Synonyms: |
2-(2,5-dimethoxyphenyl)propan-2-ol; 2-(2,5-Dimethoxyphenyl)-2-propanol |
IUPAC Name: | 2-(2,5-dimethoxyphenyl)propan-2-ol |
Description: | 2,5-Dimethoxy-α,α-dimethylbenzenemethanol is an intermediate in the synthesis of 2C-iP Hydrochloride (I739385), a phenethylamine analytical reference standard intended for forensic and research applications. Phenethylamine has uses in food industry. |
Molecular Weight: | 196.24 |
Molecular Formula: | C11H16O3 |
Canonical SMILES: | CC(C)(C1=C(C=CC(=C1)OC)OC)O |
InChI: | InChI=1S/C11H16O3/c1-11(2,12)9-7-8(13-3)5-6-10(9)14-4/h5-7,12H,1-4H3 |
InChI Key: | AOSORYLGACCTON-UHFFFAOYSA-N |
References: | Wojnowski, W., et al. Microchemical, 145 130 (2019). |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.109944368 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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