CAS 59767-24-7

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Also known as: 59767-24-7, Clemastine (m3), Egis-5927, 1-(4-chlorophenyl)-1-phenylethan-1-ol, Clemastine fumarate impurity c, 1-(4-chlorophenyl)-1-phenylethanol, (+/-)-

Molecular Formula

C₁₄H₁₃ClO

Molecular Weight

232.70 g/mol

InChI Key

MHJLXHJZQCHSIT-UHFFFAOYSA-N

FDA UNII

6149LO684B

1 2D Structure

CAS 59767-24-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-chlorophenyl)-1-phenylethanol

2.1.2 InChI

InChI=1S/C14H13ClO/c1-14(16,11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,16H,1H3

2.1.3 InChI Key

MHJLXHJZQCHSIT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

6149LO684B

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 59767-24-7

2. Clemastine (m3)

3. Egis-5927

4. 1-(4-chlorophenyl)-1-phenylethan-1-ol

5. Clemastine Fumarate Impurity C

6. 1-(4-chlorophenyl)-1-phenylethanol, (+/-)-

7. 6149lo684b

8. (rs)-1-(4-chlorophenyl)-1-phenylethanol

9. 1 -(4-chlorophenyl)-1 -phenylethanol

10. P-chloro-alpha-methylbenzhydrol

11. Unii-6149lo684b

12. Ak153227

13. Ec 611-881-1

14. 4-chloro(alpha-methyl-alpha-phenyl)benzenemethanol

15. Chlorophenyl)-1-phenylethanol

16. Benzenemethanol, 4-chloro-alpha-methyl-alpha-phenyl-

17. Schembl4062666

18. Dtxsid30557173

19. Amy32004

20. Bcp33134

21. 1-phenyl-1-(p-chlorophenyl)ethanol

22. Mfcd09743490

23. Akos009996893

24. Ds-7400

25. P-chloro-.alpha.-methylbenzhydrol

26. Cs-0154094

27. C75792

28. Q27263286

29. 4-chloro(.alpha.-methyl-.alpha.-phenyl)benzenemethanol

30. Benzenemethanol, 4-chloro-.alpha.-methyl-.alpha.-phenyl-

31. 1-(4-chlorophenyl)-1-phenylethanol;1-(4-chlorophenyl)-1-phenylethan-1-ol

2.4 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₃ClO
Molecular Weight	232.70 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	232.0654927 g/mol
Monoisotopic Mass	232.0654927 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	217
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1