CAS 114393-97-4

1 2D Structure

CAS 114393-97-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[2-(5-ethylpyridin-2-yl)ethoxy]benzaldehyde

2.1.2 InChI

InChI=1S/C16H17NO2/c1-2-13-3-6-15(17-11-13)9-10-19-16-7-4-14(12-18)5-8-16/h3-8,11-12H,2,9-10H2,1H3

2.1.3 InChI Key

NTSWGSRJHHXHBB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)C=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 114393-97-4

2. 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde

3. 4-[2-(5-ethylpyridin-2-yl)ethoxy]benzaldehyde

4. 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzyaldehyde

5. 4-[2-(5-ethyl-2-pyridyl)ethoxy]benzaldehyde

6. Benzaldehyde, 4-[2-(5-ethyl-2-pyridinyl)ethoxy]-

7. Schembl3258559

8. Dtxsid70432298

9. Act04257

10. Akos015899916

11. 4-[2-(5-ethylpyridyl)ethoxy]benzaldehyde

12. 4[2-(5-ethyl-2-pyridyl)ethoxy]benzaldehyde

13. Cs-0441202

14. Ft-0668378

15. Ft-0668379

16. 4-[2(5-ethyl-2-pyridyl) Ethoxy]benzaldehyde

17. 4 -[2-(5-ethyl-2-pyridyl)ethoxy]benzaldehyde

18. 4-[ 2-(5-ethyl-2-pyridyl)ethoxy]benzaldehyde

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₇NO₂
Molecular Weight	255.31 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	39.2
Heavy Atom Count	19
Formal Charge	0
Complexity	262
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

CAS 114393-97-4 manufacturers and suppliers on PharmaCompass