2-(4-Acetoxyphenyl)ethanol - CAS 60037-43-6
Catalog: |
BB075515 |
Product Name: |
2-(4-Acetoxyphenyl)ethanol |
CAS: |
60037-43-6 |
Synonyms: |
4-(2-Hydroxyethyl)phenyl Acetate; 4-(Acetyloxy)benzeneethanol |
IUPAC Name: | [4-(2-hydroxyethyl)phenyl] acetate |
Description: | 2-(4-Acetoxyphenyl)ethanol is an intermediate in synthesizing Oleocanthal (O524540). It is a compound of olive oil with potential use as anti-inflammatory and chemotherapeutic agents. |
Molecular Weight: | 180.2 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CC(=O)OC1=CC=C(C=C1)CCO |
InChI: | InChI=1S/C10H12O3/c1-8(12)13-10-4-2-9(3-5-10)6-7-11/h2-5,11H,6-7H2,1H3 |
InChI Key: | ZTXTZJHRRIQLRH-UHFFFAOYSA-N |
Solubility: | Dichloromethane |
Appearance: | Clear Liquid |
Storage: | 20°C |
References: | Scotece, M., et. al. Drug Discovery Today, 20, 406 (2015). |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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