1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol

2.1.2 InChI

InChI=1S/C16H15N3O/c1-3-6-12-9-11(2)10-15(16(12)20)19-17-13-7-4-5-8-14(13)18-19/h3-5,7-10,20H,1,6H2,2H3

2.1.3 InChI Key

YKONWVIRECCMQE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CC=C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2170-39-0

2. 2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol

3. Uv-9

4. 2-(3-allyl-2-hydroxy-5-methylphenyl)-2h&

5. Oprea1_444866

6. Schembl285279

7. Dtxsid70352806

8. Zinc151989

9. Caa17039

10. Mfcd00236141

11. Stk834549

12. Akos001644852

13. Ccg-108811

14. Bs-28118

15. B5709

16. Cs-0204384

17. T70573

18. Sr-01000460008

19. Sr-01000460008-1

20. 2-(2h-benzotriazol-2-yl)-4-methyl-6-(2-propen-1-yl)-phenol

21. 2-(2h-benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol 99%

22. 2-(2h-benzotriazol-2-yl)-4-methyl-6-(prop-2-en-1-yl)phenol

23. 2-allyl-6-(2h-benzo[d][1,2,3]triazol-2-yl)-4-methylphenol

24. 2-(2h-benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol, 99%

2.3 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₅N₃O
Molecular Weight	265.31 g/mol
XLogP3	5.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	265.121512110 g/mol
Monoisotopic Mass	265.121512110 g/mol
Topological Polar Surface Area	50.9 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	335
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

2-2H-Benzotriazol-2-Yl-4-Methyl-6-2-Propenyl-Phenol