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2D Structure
Also known as: 100306-33-0, (r)-(+)-3-chloro-1-phenyl-1-propanol, (r)-3-chloro-1-phenylpropan-1-ol, (1r)-3-chloro-1-phenyl-propan-1-ol, (r)-(+)-3-chloro-1-phenylpropanol, (r)-3-chloro-1-phenyl-1-propanol
Molecular Formula
C9H11ClO
Molecular Weight
170.63  g/mol
InChI Key
JZFUHAGLMZWKTF-SECBINFHSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R)-3-chloro-1-phenylpropan-1-ol
2.1.2 InChI
InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1
2.1.3 InChI Key
JZFUHAGLMZWKTF-SECBINFHSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C(CCCl)O
2.1.5 Isomeric SMILES
C1=CC=C(C=C1)[C@@H](CCCl)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 100306-33-0

2. (r)-(+)-3-chloro-1-phenyl-1-propanol

3. (r)-3-chloro-1-phenylpropan-1-ol

4. (1r)-3-chloro-1-phenyl-propan-1-ol

5. (r)-(+)-3-chloro-1-phenylpropanol

6. (r)-3-chloro-1-phenyl-1-propanol

7. (r)-3-chloro-1-phenylpropanol

8. [r]-3-chloro-1-phenylpropanol

9. Mfcd00075128

10. Benzenemethanol, Alpha-(2-chloroethyl)-, (alphar)-

11. Schembl1142222

12. Dtxsid50349017

13. (r)-1-phenyl-3-chloro-1-propanol

14. (1r)-3-chloro-1-phenyl-1-propanol

15. 3-chloro-1-(r)-phenyl-propan-1-ol

16. Akos015850599

17. Akos015888236

18. Ac-6655

19. Cs-w002319

20. Db06934

21. (r )-(+)-3-chloro-1-phenylpropanol

22. (r)-alpha-(2-chloroethyl)benzenemethanol

23. Bp-13229

24. Ds-10681

25. C2423

26. (1r)-3-chloro-1-phenyl-propan-1-ol,98%

27. (r)-(+)-alpha-(2-chloroethyl)benzyl Alcohol

28. En300-207538

29. (r)-(+)-3-chloro-1-phenyl-1-propanol, 98%

30. R(+)-alpha-(2-chloroethyl)benzyl Alcohol

31. J-502098

32. Q27095839

33. Z1255356297

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 170.63 g/mol
Molecular Formula C9H11ClO
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area20.2
Heavy Atom Count11
Formal Charge0
Complexity99.7
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1