4- (2-phenylethoxy) benzoic acid

CAT: 0024-sc-289450Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-289450Size:100 mg

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CAS Number

30762-06-2

Chemical Information

4-(2-Phenylethoxy)benzoic acid

CAS Number	30762-06-2
PubChem CID	283540
IUPAC Name	4-(2-phenylethoxy)benzoic acid
Molecular Formula	C15H14O3
Molecular Weight	242.27
XLogP	3.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	250

SMILES

C1=CC=C(C=C1)CCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H14O3/c16-15(17)13-6-8-14(9-7-13)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17)

InChIKey

FRQLEOHJRISXFC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 30762-06-2

CID: 283540

Formula: C15H14O3

MW: 242.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.27
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	242.094294304
Monoisotopic Mass	242.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	250
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
sc-347739A	4- (2-phenylethoxy) butanoic acid
sc-347739	4- (2-phenylethoxy) butanoic acid
sc-335987	4- (2-phenylethoxy) benzoyl chloride
sc-289449	4- (2-phenylethoxy) benzaldehyde
sc-232206	4- (2-Chloroacetamido) benzoic acid
sc-314036	4- (2-Isopropoxyethoxy) benzoic acid
sc-251669	2- (4-Hydroxyphenylazo) benzoic acid
sc-347619A	4- (2-bromophenoxymethyl) benzoic acid
sc-476691	4- (2-Pyridinyl) benzoic Acid
sc-470005	4- (2-Methylphenoxy) Benzoic Acid

Catalog	Name
OR1094643	2- (2-Phenylethoxy) benzoic acid
ZFA60989-01	4- (1-Phenylethoxy) benzoic acid
SAA84096	2- (Isobutyrylamino) benzoic acid
IBA96355	2- (Methylsulphonyl) benzoic acid
T1427-01	2- (Phosphonooxy) benzoic acid
414209-01	2- (Diphenylphosphino) benzoic Acid
414128-01	2- (Cyanomethyl) benzoic Acid
414002-01	2- (Benzoylamino) benzoic acid
263637-01	2- (Bromomethyl) benzoic acid
016245	2- (Methoxymethoxy) benzoic Acid