1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one

2.1.2 InChI

InChI=1S/C17H16O2/c18-17-8-4-7-14-11-15(9-10-16(14)17)19-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2

2.1.3 InChI Key

SAYPPJQQGVXKAP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=O)C1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 32263-70-0

2. 6-phenylmethoxy-3,4-dihydro-2h-naphthalen-1-one

3. 6-benzyloxy-1-tetralone

4. Chembl3288291

5. Mfcd12024333

6. 6-benzyloxy-3,4-dihydro-2h-naphthalen-1-one

7. 1(2h)-naphthalenone, 3,4-dihydro-6-(phenylmethoxy)-

8. Schembl226640

9. 3,4-dihydro-6-(phenylmethoxy)-1(2h)-naphthalenone

10. Dtxsid40443477

11. Sayppjqqgvxkap-uhfffaoysa-n

12. Cs-b1524

13. Bdbm50017423

14. Cx1256

15. Zb1840

16. Akos011105275

17. Ds-7083

18. Sy117424

19. 6-benzyloxy-3,4-dihydronaphthalen-1(2h)-one

20. 6-(benzyloxy)-3,4-dihydronaphtalen-1(2h)-one

21. 6-(benzyloxy)-3,4-dihydronaphthalene-1(2h)-one

22. A918174

23. 6-(benzyloxy)-1,2,3,4-tetrahydronaphthalen-1-one

24. J-518042

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₆O₂
Molecular Weight	252.31 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	26.3
Heavy Atom Count	19
Formal Charge	0
Complexity	306
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

32263-70-0

32263-70-0

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