4- (3-Methoxy-phenoxy) -benzaldehyde

CAT: 0926-FJB47484-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FJB47484-01Size:100 mg

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CAS Number

855474-84-9

MDL Number

MFCD09026268

Smiles

COC1=CC (=CC=C1) OC2=CC=C (C=C2) C=O

Molecular Formula

C14H12O3

Molecular Weight

228.24 g/mol

Controlled

Chemical Information

4-(3-Methoxyphenoxy)benzaldehyde

CAS Number	855474-84-9
PubChem CID	16244084
IUPAC Name	4-(3-methoxyphenoxy)benzaldehyde
Molecular Formula	C14H12O3
Molecular Weight	228.24
XLogP	3.4
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	234

SMILES

COC1=CC(=CC=C1)OC2=CC=C(C=C2)C=O

InChI

InChI=1S/C14H12O3/c1-16-13-3-2-4-14(9-13)17-12-7-5-11(10-15)6-8-12/h2-10H,1H3

InChIKey

MWRPISIUWVDPPB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 855474-84-9

CID: 16244084

Formula: C14H12O3

MW: 228.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.24
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	228.078644241
Monoisotopic Mass	228.078644241
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	234
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
DDA72548-01	4- (2-Methoxy-phenoxy) -benzaldehyde
JEB54652-01	3-Methoxy-4-[2-nitro-4- (piperidine-1-sulfonyl) phenoxy]benzaldehyde
RNA94207	4-Methoxy-3-[ (4-nitrophenyl) methoxy]benzaldehyde
TCA88546-01	3-Methoxy-4-methylsulfanyl-benzaldehyde
ENA22274-01	4-Methoxy-3- (pentachlorophenoxymethyl) benzaldehyde
WAA96249	4-Cyano-3-methoxy-benzaldehyde
ADA88955-01	4-Methoxy-3- (methylsulfanyl) benzaldehyde
TEA79148-01	4-Methoxy-3- (pentyloxy) benzaldehyde
XHA57317-01	4-Cyclopentyloxy-3-methoxy-benzaldehyde
FM70120-01	4-Methoxy-3- (trifluoromethyl) benzaldehyde

Catalog	Name
sc-276767	4- (4-Methoxy-phenoxy) -3-nitro-benzaldehyde
sc-316676	4-Methoxy-3-{[3- (trifluoromethyl) phenoxy]-methyl}benzaldehyde
sc-348789A	4-[2- (3-Bromo-phenoxy) -ethoxy]-3-methoxy-benzaldehyde
TRC-P297807-25MG	3-(phenoxy-13C6)-benzaldehyde
sc-313248	3-Methoxy-4-[2-nitro-4- (trifluoromethyl) phenoxy]-benzaldehyde
sc-348781A	4-[2- (2-Chloro-phenoxy) -ethoxy]-3-methoxy-benzaldehyde
PC109477-01	3-[3- (Trifluoromethyl) phenoxy]benzaldehyde
sc-336162	4- (Phenoxy) -3-fluoro-benzaldehyde
sc-344120	3- (2-Chloro-phenoxy) -benzaldehyde
PC1012405-01	3- ((3- (trifluoromethyl) phenoxy) methyl) benzaldehyde