1-(3-Hydroxy-4-methylphenyl)-1-propanone - CAS 18158-56-0
Catalog: |
BB064021 |
Product Name: |
1-(3-Hydroxy-4-methylphenyl)-1-propanone |
CAS: |
18158-56-0 |
Synonyms: |
3'-Hydroxy-4'-methyl-propiophenone |
IUPAC Name: | 1-(3-hydroxy-4-methylphenyl)propan-1-one |
Description: | 1-(3-Hydroxy-4-methylphenyl)-1-propanone is an intermediate in the synthesis of 3-Hydroxy Tolperisone Maleate which is a metabolite of Tolperisone (T535475). |
Molecular Weight: | 164.2 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CCC(=O)C1=CC(=C(C=C1)C)O |
InChI: | InChI=1S/C10H12O2/c1-3-9(11)8-5-4-7(2)10(12)6-8/h4-6,12H,3H2,1-2H3 |
InChI Key: | VEUBBQLXMYOYRF-UHFFFAOYSA-N |
Solubility: | Dimethylsulfoxide, Methanol |
Appearance: | Brown Solid |
Storage: | Refrigerator |
References: | Shiozawa, A., et al. Eur. J. Med. Chem. Chim. Ther., 30, 85 (1995),. |
Complexity: | 165 |
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: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
-
Catalog: BB069173
((1-Chloro-2-methylpropan-2-yl)oxy)trimethylsilane
Detail
-
Catalog: BB074213
((2R,3S,4R,5R,6R)-5-Acetamido-3,4-dihydroxy-6-(2-(trimethylsilyl)ethoxy)tetrahydro-2H-pyran-2-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB072639
((2R,3S,4R,5R)-5-(4-(Benzyloxy)-2-oxopyridin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl Dihydrogen Phosphate
Detail
-
Catalog: BB071775
((1R,4R)-4-(((tert-butyldimethylsilyl)oxy)methyl)cyclohexyl)methanol
Detail
-
Catalog: BB055105
((2R,5S,10aS,10bS)-5-Benzyl-8,10b-bis(benzyloxy)-2-methyl-3,6-dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)carbamic Acid Benzyl Ester
Detail
-
Catalog: BB075348
((2S,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate, sodium salt
Detail
-
Catalog: BB064244
((2S,3R)-4-(4-(((((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl)oxy)carbonyl)amino)-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamic Acid Phenylmethyl Ester
Detail
-
Catalog: BB074488
((1R,3R)-3-Amino-cyclopentyl)-carbamic Acid tert-Butyl Ester
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS