1-[4-(Hydroxymethyl)phenyl]-1-propanone - CAS 352233-12-6
Catalog: |
BB061148 |
Product Name: |
1-[4-(Hydroxymethyl)phenyl]-1-propanone |
CAS: |
352233-12-6 |
Synonyms: |
4'-(Hydroxymethyl)propiophenone; 1-[4-(Hydroxymethyl)phenyl]-1-propanone |
IUPAC Name: | 1-[4-(hydroxymethyl)phenyl]propan-1-one |
Description: | 1-[4-(Hydroxymethyl)phenyl]-1-propanone is an intermediate used in the synthesis of Hydroxymethyl Tolperisone Hydrochloride (H825525), which is a metabolite of Tolperisone (T535475). |
Molecular Weight: | 164.2 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CCC(=O)C1=CC=C(C=C1)CO |
InChI: | InChI=1S/C10H12O2/c1-2-10(12)9-5-3-8(7-11)4-6-9/h3-6,11H,2,7H2,1H3 |
InChI Key: | WXOZOWCWFUPZDJ-UHFFFAOYSA-N |
Solubility: | Dichloromethane; Methanol |
Appearance: | Clear Oil |
Storage: | -20°C Freezer |
References: | Shiozawa, A., et al. Eur. J. Med. Chem. Chim. Ther., 30, 85 (1995),. |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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