Ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

CAT: 1596-AR-O01703-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-O01703-01Size:10 Units

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CAS Number

31197-69-0

Synonyms

Ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate; ?-Cyclohexyl-?-hydroxy-benzeneacetic Acid Ethyl Ester; Ethyl ?-Cyclohexylmandelate

Molecular Formula

C16H22O3

Molecular Weight

262.35

API Name

Oxybutynin

Chemical Information

Ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

CAS Number	31197-69-0
PubChem CID	4156543
IUPAC Name	ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Molecular Formula	C16H22O3
Molecular Weight	262.34
XLogP	3.7
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	290

SMILES

CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C16H22O3/c1-2-19-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3,5-6,9-10,14,18H,2,4,7-8,11-12H2,1H3

InChIKey

OKSWMMZQZJBIKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31197-69-0

CID: 4156543

Formula: C16H22O3

MW: 262.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.34
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	262.15689456
Monoisotopic Mass	262.15689456
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	290
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-M03337-01	Methyl 2-hydroxy-2-phenylacetate
AR-P02790-01	(R) -isopropyl 2-hydroxy-2-phenylacetate
AR-B02318-01	2- (2- (diethylamino) ethoxy) ethyl 2-phenylacetate
AR-I01862-01	5- (1-hydroxy-2- (isopropylamino) ethyl) -2-methoxyphenol
AR-T02311-01	Ethyl 2-hydroxy-2,2-di (thiophen-2-yl) acetate
AR-I01861-01	4- (1-hydroxy-2- (isopropylamino) ethyl) -2-methoxyphenol
AR-P01750-01	3- (1-hydroxy-2- (methylamino) ethyl) phenol
AR-P29577-01	Sodium Phenylacetate
AR-V01285-01	2-cyclohexyl-2- (4-methoxyphenyl) ethanamine
AR-E01554-01	4- (1-hydroxy-2- (methylamino) ethyl) benzene-1,2-diol

Catalog	Name
sc-218362	Ethyl 2-Cyclohexyl-2-hydroxy-phenylacetate
275173-01	Ethyl 2-Cyclohexyl-2-hydroxy-phenylacetate discontinued
TRC-E442760-250MG	Ethyl (S)-2-Cyclopentyl-2-hydroxy-2-phenylacetate
OR1056235-01	4- (Ethyl (propyl) amino) but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate
RG-E082522-01	Ethyl 2-Phenylacetate
RG-A261652-01	Ethyl 2-Diazo-2-Phenylacetate
PC1021752-01	Ethyl 2-fluoro-2-phenylacetate
OR1056426-01	Ethyl 2,2-dichloro-2-phenylacetate
TRC-E916445-500MG	Ethyl [2-Diethylaminocarbonylthio)]phenylacetate
sc-263159A	Ethyl 2- (trifluoromethyl) phenylacetate