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

Technical Data

Computed Properties

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).

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Related Functional Groups

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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:	46.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3