CAS 6972-79-8

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Also known as: 6972-79-8, 1,3-dibenzyloxy-2-propanol, 1,3-bis(benzyloxy)propan-2-ol, 1,3-bis(phenylmethoxy)propan-2-ol, 2-propanol, 1,3-bis(phenylmethoxy)-, 1,3-di-o-benzylglycerol

Molecular Formula

C₁₇H₂₀O₃

Molecular Weight

272.34 g/mol

InChI Key

ARLSYSVVBAMYKA-UHFFFAOYSA-N

1 2D Structure

CAS 6972-79-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3-bis(phenylmethoxy)propan-2-ol

2.1.2 InChI

InChI=1S/C17H20O3/c18-17(13-19-11-15-7-3-1-4-8-15)14-20-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2

2.1.3 InChI Key

ARLSYSVVBAMYKA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6972-79-8

2. 1,3-dibenzyloxy-2-propanol

3. 1,3-bis(benzyloxy)propan-2-ol

4. 1,3-bis(phenylmethoxy)propan-2-ol

5. 2-propanol, 1,3-bis(phenylmethoxy)-

6. 1,3-di-o-benzylglycerol

7. Mls002693392

8. 1,3-dibenzyloxypropan-2-ol

9. 1,3-dibenzyloxy-2-hydroxypropane;1,3-bis(benzyloxy)propan-2-ol

10. 1,3-bisbenzyloxy-propan-2-ol

11. Nsc62583

12. 1,3-bis(phenylmethoxy)-2-propanol

13. 1,3dibenzyloxy-2-propanol

14. 1,3-di-o-benzyl Glycerol

15. 1-o,3-o-dibenzylglycerol

16. Nciopen2_002568

17. 1,3 Dibenzyloxy-2-propanol

18. 1,3-bisbenzyloxy-2-propanol

19. Schembl397022

20. Chembl1881097

21. Dtxsid6073990

22. 1,3-bis-benzyloxy-propan-2-ol

23. Hms3088b08

24. Zinc388495

25. 1,3-bis(benzyloxy)-2-propanol #

26. 1,3-dibenzyloxy-2-propanol-[d5]

27. 1,3-dibenzyloxy-2-propanol, 97%

28. Mfcd00010616

29. Nsc 62583

30. Nsc-62583

31. Akos015913038

32. 1,3-bis(benzyloxy)-2-propanol, 96%

33. S12077

34. As-10260

35. Smr001559348

36. Db-055332

37. Cs-0204410

38. Ft-0606621

39. B-3280

40. A847463

41. 1,3-bis(benzyloxy)-2-propanol;1,3-benzyloxy-2-propanol

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₀O₃
Molecular Weight	272.34 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	272.14124450 g/mol
Monoisotopic Mass	272.14124450 g/mol
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	208
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

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