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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Also known as: 31848-01-8, Morclofone [inn], Plausitin, 4'-chloro-3,5-dimethoxy-4-(2-morpholinoethoxy)benzophenone, Dimeclophenone, Vy62tib872

Molecular Formula

C₂₁H₂₄ClNO₅

Molecular Weight

405.9 g/mol

InChI Key

KVCJCEKJKGLBOK-UHFFFAOYSA-N

FDA UNII

VY62TIB872

1 2D Structure

Morclofone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-chlorophenyl)-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanone

2.1.2 InChI

InChI=1S/C21H24ClNO5/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23/h3-6,13-14H,7-12H2,1-2H3

2.1.3 InChI Key

KVCJCEKJKGLBOK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=CC(=C1OCCN2CCOCC2)OC)C(=O)C3=CC=C(C=C3)Cl

2.2 Other Identifiers

2.2.1 UNII

VY62TIB872

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Morclofone Hydrochloride

2. Morclophone

2.3.2 Depositor-Supplied Synonyms

1. 31848-01-8

2. Morclofone [inn]

3. Plausitin

4. 4'-chloro-3,5-dimethoxy-4-(2-morpholinoethoxy)benzophenone

5. Dimeclophenone

6. Vy62tib872

7. Morclofone (inn)

8. K 3712; Medicil; Nitux; Plausitin

9. Morclofona

10. Morclofonum

11. Morclofonum [inn-latin]

12. Morclofona [inn-spanish]

13. Einecs 250-838-8

14. Brn 1050359

15. Unii-vy62tib872

16. Morclofon

17. K 3712

18. Plausitin (tn)

19. Morclofone [mi]

20. Benzophenone, 4'-chloro-3,5-dimethoxy-4-(2-morpholinoethoxy)-

21. Methanone, (4-chlorophenyl)(3,5-dimethoxy-4-(2-(4-morpholinyl)ethoxy)phenyl)-

22. Morclofone [mart.]

23. Morclofone [who-dd]

24. Schembl554800

25. Chembl2105158

26. Dtxsid50185710

27. Chebi:135657

28. 3-chloro-5-methoxyphenylboronic?acid

29. Zinc30691542

30. (4-chlorophenyl)-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanone

31. Db13558

32. D07395

33. Q6909555

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₄ClNO₅
Molecular Weight	405.9 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	405.1343006 g/mol
Monoisotopic Mass	405.1343006 g/mol
Topological Polar Surface Area	57.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	465
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