CAS 124937-73-1

Chemistry

Chemistry

Also known as: 124937-73-1, 3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-ol, 3-(2-methoxy-5-methylphenyl)-3-phenylpropanol, 7uh4ha2mde, 3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propan-1-ol, 2-methoxy-5-methyl-gamma-phenylbenzenepropanol

Molecular Formula

C₁₇H₂₀O₂

Molecular Weight

256.34 g/mol

InChI Key

OCGTUTJXBDQGKL-UHFFFAOYSA-N

FDA UNII

7UH4HA2MDE

1 2D Structure

CAS 124937-73-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-ol

2.1.2 InChI

InChI=1S/C17H20O2/c1-13-8-9-17(19-2)16(12-13)15(10-11-18)14-6-4-3-5-7-14/h3-9,12,15,18H,10-11H2,1-2H3

2.1.3 InChI Key

OCGTUTJXBDQGKL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(C=C1)OC)C(CCO)C2=CC=CC=C2

2.2 Other Identifiers

2.2.1 UNII

7UH4HA2MDE

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 124937-73-1

2. 3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-ol

3. 3-(2-methoxy-5-methylphenyl)-3-phenylpropanol

4. 7uh4ha2mde

5. 3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propan-1-ol

6. 2-methoxy-5-methyl-gamma-phenylbenzenepropanol

7. (3rs)-3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-ol

8. Unii-7uh4ha2mde

9. Schembl615095

10. Amy8934

11. Dtxsid50457328

12. Act04372

13. Bcp11952

14. Mfcd08063882

15. Tolterodine Tartrate Impurity A [ep]

16. Akos015889798

17. Ac-3468

18. Ac-3471

19. Ds-13711

20. Db-001237

21. Cs-0334743

22. Ft-0643034

23. 937m731

24. A805327

25. Benzenepropanol, 2-methoxy-5-methyl-gamma-phenyl-

26. Q-200328

27. Tolterodine Tartrate Impurity A [ep Impurity]

28. 2-methoxy-5-methyl-.gamma.-phenylbenzenepropanol

29. Benzenepropanol, 2-methoxy-5-methyl-.gamma.-phenyl-

30. 3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propan-1-ol;3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-ol

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₀O₂
Molecular Weight	256.34 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	256.146329876 g/mol
Monoisotopic Mass	256.146329876 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	248
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

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