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Also known as: 156755-25-8, 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol, 5-bromo-gamma-phenyl-2-(phenylmethoxy)benzenepropanol, 3-[2-(benzyloxy)-5-bromophenyl]-3-phenylpropan-1-ol, Schembl724619, Dtxsid10627944
Molecular Formula
C22H21BrO2
Molecular Weight
397.3  g/mol
InChI Key
KJMCZWJBHWBPNB-UHFFFAOYSA-N

CAS 156755-25-8
1 2D Structure

CAS 156755-25-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol
2.1.2 InChI
InChI=1S/C22H21BrO2/c23-19-11-12-22(25-16-17-7-3-1-4-8-17)21(15-19)20(13-14-24)18-9-5-2-6-10-18/h1-12,15,20,24H,13-14,16H2
2.1.3 InChI Key
KJMCZWJBHWBPNB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C(CCO)C3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 156755-25-8

2. 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol

3. 5-bromo-gamma-phenyl-2-(phenylmethoxy)benzenepropanol

4. 3-[2-(benzyloxy)-5-bromophenyl]-3-phenylpropan-1-ol

5. Schembl724619

6. Dtxsid10627944

7. Cs-b0082

8. Akos015901543

9. Cs-14109

10. Da-18290

11. Ft-0703927

12. 755b258

13. A883542

14. (+/-)-3-(2-benzyloxy-5-bromophenyl)-3-phenyl Propanol

15. (+/-)-3-(2-benzyloxy-5-bromophenyl)-3-phenylpropanol

16. 5-bromo-gamma-phenyl-2-(phenylmethoxy)-benzenepropanol

17. (+/-)-3-(2-benzyloxy-5-bromophenyl)-3-phenylpropan-1-ol

18. 3-(2-benzyloxy-5-bromophenyl)-3-phenylpropan-1-ol

19. Benzenepropanol, 5-bromo-g-phenyl-2-(phenylmethoxy)-, ()-

20. Benzenepropanol, 5-bromo-gamma-phenyl-2-(phenylmethoxy)-

21. (+/-)-3-(2-benzyloxy-5-bromophenyl)-3-phenyl Propan-1-ol

22. Benzenepropanol,5-bromo-g-phenyl-2-(phenylmethoxy)-,( Inverted Exclamation Marka)-

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 397.3 g/mol
Molecular Formula C22H21BrO2
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass396.07249 g/mol
Monoisotopic Mass396.07249 g/mol
Topological Polar Surface Area29.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity363
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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