3-Ethoxy-4- (2-phenoxyethoxy) benzoic acid

CAT: 0926-WXA15608-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-WXA15608-01Size:0.5 g

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CAS Number

571156-08-6

MDL Number

MFCD03988230

Smiles

CCOC1=C (C=CC (=C1) C (=O) O) OCCOC2=CC=CC=C2

Molecular Formula

C17H18O5

Molecular Weight

302.32 g/mol

Controlled

Chemical Information

3-ethoxy-4-(2-phenoxyethoxy)benzoic Acid

CAS Number	571156-08-6
PubChem CID	2433229
IUPAC Name	3-ethoxy-4-(2-phenoxyethoxy)benzoic acid
Molecular Formula	C17H18O5
Molecular Weight	302.32
XLogP	3.7
Topological Polar Surface Area	65
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	22
Formal Charge	0
Complexity	327

SMILES

CCOC1=C(C=CC(=C1)C(=O)O)OCCOC2=CC=CC=C2

InChI

InChI=1S/C17H18O5/c1-2-20-16-12-13(17(18)19)8-9-15(16)22-11-10-21-14-6-4-3-5-7-14/h3-9,12H,2,10-11H2,1H3,(H,18,19)

InChIKey

WODYIEDJGMSCBV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 571156-08-6

CID: 2433229

Formula: C17H18O5

MW: 302.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.32
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	302.11542367
Monoisotopic Mass	302.11542367
Topological Polar Surface Area	65 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	327
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
BEA09393-01	2- (2-Phenoxyethoxy) benzoic acid
ZLA93486-01	3-Ethoxy-4- (2-phenoxyethoxy) benzaldehyde
CBA89092-01	4- (2-Methoxy-ethoxy) -benzoic acid
EMB97544-01	4-[2- (4-Phenoxyphenoxy) ethoxy]benzoic acid
JCA93128-01	4-[2- (Diethylamino) ethoxy]benzoic acid hydrochloride
MGA40163-01	4-Difluoromethoxy-3-ethoxy-benzoic acid
RJB76815-01	3-Chloro-5-ethoxy-4- (2-ethoxy-2-oxoethoxy) benzoic acid
RQB82967-01	3-Ethoxy-4- (2-methoxy-2-oxoethoxy) benzoic acid
ABA78199-01	3- (2-Hydroxy-ethoxy) -benzoic acid
FCA21184-01	2- (2-Hydroxy-ethoxy) -benzoic acid

Catalog	Name
sc-346866	3-Ethoxy-4- (2-phenoxy-ethoxy) -benzoic acid
sc-348780	4-[2- (2-Chloro-phenoxy) -ethoxy]-3-ethoxy-benzoic acid
OR1048132-01	4- (2- (2- (2-Methoxyethoxy) ethoxy) ethoxy) benzoic acid
sc-339876	2- (4-Ethoxy-benzenesulfonylamino) -benzoic acid
sc-345616A	3- (4-Ethoxy-benzenesulfonylamino) -benzoic acid
PC1017909-01	3-Ethoxy-4- (trifluoromethoxy) benzoic acid
OR1101796-01	4- (2- (Acryloyloxy) ethoxy) benzoic acid
PC1022362	2-Ethoxy-4- (trifluoromethoxy) benzoic acid
sc-314070	4- (2-Methoxy-ethoxy) -benzoic acid
OR962445	4- (2-Hydroxy-ethoxy) -benzoic acid