4- (2-Oxo-2-phenylethoxy) benzaldehyde

CAT: 0926-PFA48440Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-PFA48440Size:2.5 g

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CAS Number

139484-40-5

MDL Number

MFCD03361596

Smiles

C1=CC=C (C=C1) C (=O) COC2=CC=C (C=C2) C=O

Molecular Formula

C15H12O3

Molecular Weight

240.25 g/mol

Controlled

Chemical Information

4-(2-Oxo-2-phenylethoxy)benzaldehyde

CAS Number	139484-40-5
PubChem CID	2060331
IUPAC Name	4-phenacyloxybenzaldehyde
Molecular Formula	C15H12O3
Molecular Weight	240.25
XLogP	2.8
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	273

SMILES

C1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)C=O

InChI

InChI=1S/C15H12O3/c16-10-12-6-8-14(9-7-12)18-11-15(17)13-4-2-1-3-5-13/h1-10H,11H2

InChIKey

DUFOKNRIMNOESJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 139484-40-5

CID: 2060331

Formula: C15H12O3

MW: 240.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.25
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	240.078644241
Monoisotopic Mass	240.078644241
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	273
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
FP116151-01	3- (2-Phenylethoxy) benzaldehyde
SCB26221-01	2-Bromo-5-methoxy-4- (2-phenylethoxy) benzaldehyde
ECA90000-01	4- (2-Phenylethoxy) phenol
IKB54714-01	4- (2-Phenylethoxy) piperidine
CWB58672-01	4- (2-Phenylethoxy) butanenitrile
FJB83369-01	4- (2-Phenylethoxy) butanoic acid
BGC11200-01	2- (2-Oxo-1 (2H) -quinazolinyl) benzaldehyde
QZB52697-01	2- (2-Phenylethoxy) pyridine-4-carboximidamide hydrochloride
XDA47632-01	2- (2-Phenylethoxy) aniline
KFB18353	3-Methoxy-4-[2-oxo-2- (pyrrolidin-1-yl) ethoxy]benzaldehyde

Catalog	Name
sc-276667	4- (2-oxo-2-phenylethoxy) benzaldehyde
sc-309534	3- (2-Oxo-2-phenylethoxy) benzaldehyde
OR1100001	2- (2-Phenylethoxy) benzaldehyde
sc-313227	3-Methoxy-4- (2-oxo-2-phenylethoxy) benzaldehyde
428680	4- (2-Phenylethoxy) benzaldehyde
sc-309550	3- (2-Phenylethoxy) benzaldehyde
TRC-P336585-1G	4-(2-Phenylethoxy)benzaldehyde
sc-322413	3-Bromo-5-methoxy-4- (2-oxo-2-phenylethoxy) -benzaldehyde
sc-313229	3-Methoxy-4- (2-phenylethoxy) benzaldehyde
413234-01	2- (2-Oxo-1 (2H) -quinazolinyl) benzaldehyde