CAS 1126-61-0

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Also known as: 1126-61-0, Hydroxychavicol, 4-allylbenzene-1,2-diol, 4-allylcatechol, 2-hydroxychavicol, 3,4-dihydroxy-allylbenzene

Molecular Formula

C₉H₁₀O₂

Molecular Weight

150.17 g/mol

InChI Key

FHEHIXJLCWUPCZ-UHFFFAOYSA-N

FDA UNII

FG58C4J9BR

4-allylpyrocatechol is a natural product found in Dracaena draco, Piper retrofractum, and other organisms with data available.

1 2D Structure

CAS 1126-61-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-prop-2-enylbenzene-1,2-diol

2.1.2 InChI

InChI=1S/C9H10O2/c1-2-3-7-4-5-8(10)9(11)6-7/h2,4-6,10-11H,1,3H2

2.1.3 InChI Key

FHEHIXJLCWUPCZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C=CCC1=CC(=C(C=C1)O)O

2.2 Other Identifiers

2.2.1 UNII

FG58C4J9BR

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-hydroxychavicol

2. Hydroxychavicol

2.3.2 Depositor-Supplied Synonyms

1. 1126-61-0

2. Hydroxychavicol

3. 4-allylbenzene-1,2-diol

4. 4-allylcatechol

5. 2-hydroxychavicol

6. 3,4-dihydroxy-allylbenzene

7. 4-prop-2-enylbenzene-1,2-diol

8. 1,2-benzenediol, 4-(2-propenyl)-

9. Desmethylisoeugenol

10. Fg58c4j9br

11. 4-(prop-2-en-1-yl)benzene-1,2-diol

12. 4-(2-propenyl)-1,2-benzenediol

13. Hydroxychavicol; 4-allylpyrocatechol

14. Ccris 1524

15. 4-allylbenzene-1,2-d

16. Hydroxy Chavicol

17. P-allylcatechol

18. 4-allyl-1,2-benzenediol

19. Unii-fg58c4j9br

20. Hydroxychavicol, 2-

21. Hydroxychavicolhydroxychavicol

22. Schembl43300

23. 1,2-dihydroxy-4-allylbenzene

24. 4-allyl-1,2-dihydroxybenzene

25. Chembl111134

26. Dtxsid20150112

27. Zinc586482

28. Bcp29736

29. Hy-n1887

30. Bbl029399

31. Bdbm50267733

32. Mfcd01548379

33. Stk046904

34. Akos005384863

35. Cs-7492

36. 4-allylpyrocatechol, Analytical Standard

37. As-58835

38. A894552

39. W-200844

40. 4-allylcatechol; 2-hydroxychavicol Pound>>hydroxychavicol

2.4 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O₂
Molecular Weight	150.17 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	150.068079557 g/mol
Monoisotopic Mass	150.068079557 g/mol
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	134
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