Methyl 5-cyclohexyl-2-ethoxybenzoate

CAT: 0127-OR1090700-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1090700-01Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2921831-65-2

MDL Number

MFCD34816802

Purity

97%

Smiles

C1c (ccc (c1C (=O) OC) OCC) C1CCCCC1

Chemical Information

Methyl 5-cyclohexyl-2-ethoxybenzoate

CAS Number	2921831-65-2
PubChem CID	177683631
IUPAC Name	methyl 5-cyclohexyl-2-ethoxybenzoate
Molecular Formula	C16H22O3
Molecular Weight	262.34
XLogP	4.6
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	284

SMILES

CCOC1=C(C=C(C=C1)C2CCCCC2)C(=O)OC

InChI

InChI=1S/C16H22O3/c1-3-19-15-10-9-13(11-14(15)16(17)18-2)12-7-5-4-6-8-12/h9-12H,3-8H2,1-2H3

InChIKey

FWNABEZZQYJKGA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2921831-65-2

CID: 177683631

Formula: C16H22O3

MW: 262.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.34
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	262.15689456
Monoisotopic Mass	262.15689456
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	284
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1098532	Methyl 2-bromo-5-ethoxybenzoate
OR1100830	Methyl 5-chloro-2-ethoxybenzoate
OR1085220-01	Methyl 2-chloro-5-ethoxybenzoate
OR924750-01	Methyl 2-ethoxybenzoate
OR1088355-01	Methyl 2,5-dichloro-4-ethoxybenzoate
OR1082950-01	Methyl 5- (tert-butyl) -2-ethoxybenzoate
OR76715-01	Methyl 4-amino-5-chloro-2-ethoxybenzoate
OR1094359-01	Methyl 3-bromo-5-ethoxybenzoate
OR950296-01	Methyl 3-amino-5-ethoxybenzoate
OR77451-01	Methyl 4-acetamido-5-chloro-2-ethoxybenzoate

Catalog	Name
M330568	Methyl 5-Acetyl-2-ethoxybenzoate
AIA57517-01	Methyl 5- (chlorosulfonyl) -2-ethoxybenzoate
RG-M200863-01	Methyl 2-Ethoxybenzoate
455600-01	Methyl 5- (2,2-Dihydroxyacetyl) -2-ethoxybenzoate
TRC-M302735-1G	Methyl 5-(2,2-Dihydroxyacetyl)-2-ethoxybenzoate
455187-01	Methyl 3-bromo-5-ethoxybenzoate
TRC-M293263-100MG	Methyl 4-Acetamido-5-chloro-2-ethoxybenzoate
TRC-M302740-500MG	Methyl 5-(2-(tert-Butylimino)acetyl)-2-ethoxybenzoate
M24080-01	Methyl 4-ethoxybenzoate
455597-01	Methyl 5- (2- (tert-Butylimino) acetyl) -2-ethoxybenzoate