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5447-02-9 manufacturers and suppliers on PharmaCompass

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  • Chemistry
5447-02-9
Also known as: 3,4-dibenzyloxybenzaldehyde, 5447-02-9, 3,4-bis(phenylmethoxy)benzaldehyde, 3,4-dibenzyloxy benzaldehyde, Mfcd00004776, F36fj659rx
Molecular Formula
C21H18O3
Molecular Weight
318.4  g/mol
InChI Key
XDDLXZHBWVFPRG-UHFFFAOYSA-N
FDA UNII
F36FJ659RX

1 2D Structure

5447-02-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,4-bis(phenylmethoxy)benzaldehyde
2.1.2 InChI
InChI=1S/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2
2.1.3 InChI Key
XDDLXZHBWVFPRG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=O)OCC3=CC=CC=C3
2.2 Other Identifiers
2.2.1 UNII
F36FJ659RX
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3,4-dibenzyloxybenzaldehyde

2. 5447-02-9

3. 3,4-bis(phenylmethoxy)benzaldehyde

4. 3,4-dibenzyloxy Benzaldehyde

5. Mfcd00004776

6. F36fj659rx

7. Nsc-16747

8. Benzaldehyde, 3,4-bis(phenylmethoxy)-

9. Nsc16747

10. 3.4-dibenzyloxybenzaldehyde

11. Unii-f36fj659rx

12. 3,4-dibenzyloxy-benzaldehyde

13. Schembl584489

14. Benzaldehyde, 3,4-dibenzyloxy-

15. Xddlxzhbwvfprg-uhfffaoysa-

16. Dtxsid10202871

17. 3,4-dibenzyloxybenzaldehyde, 98%

18. Einecs 226-662-2

19. Ck2101

20. Nsc 16747

21. 3,4-di(benzyloxy)benzaldehyde

22. Akos005154773

23. Cs-w012015

24. Rs-1017

25. Protocatechualdehyde Dibenzyl Ether

26. Sy051629

27. D4079

28. En300-18230

29. .alpha.,.alpha.'-diphenylveratraldehyde

30. A830201

31. W-105618

32. Z57468661

33. Inchi=1/c21h18o3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-14h,15-16h2

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 318.4 g/mol
Molecular Formula C21H18O3
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area35.5
Heavy Atom Count24
Formal Charge0
Complexity358
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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