6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)naphthalen-1-ol;methane;(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate

C56H49F9O15S3 — CID 161094259

About 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)naphthalen-1-ol;methane;(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate

6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)naphthalen-1-ol;methane;(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate (PubChem CID 161094259) has the molecular formula C56H49F9O15S3 and a molecular weight of 1229.18 g/mol. Its IUPAC name is 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)naphthalen-1-ol;methane;(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate.

Molecular Properties

• Compound Name: 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)naphthalen-1-ol;methane;(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate
• PubChem CID: 161094259
• Molecular Formula: C56H49F9O15S3
• Molecular Weight: 1229.18 g/mol
• Exact Mass: 1228.21
• IUPAC Name: 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)naphthalen-1-ol;methane;(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate
• SMILES: C.O=C1CCCc2cc(-c3ccc(O)cc3)ccc21.O=C1CCCc2cc(O)ccc21.O=C1CCCc2cc(OS(=O)(=O)C(F)(F)F)ccc21.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.Oc1ccc(-c2ccc3c(O)cccc3c2)cc1
• InChI: InChI=1S/C16H14O2.C16H12O2.C11H9F3O4S.C10H10O2.C2F6O5S2.CH4/c2*17-14-7-4-11(5-8-14)12-6-9-15-13(10-12)2-1-3-16(15)18;12-11(13,14)19(16,17)18-8-4-5-9-7(6-8)2-1-3-10(9)15;11-8-4-5-9-7(6-8)2-1-3-10(9)12;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;/h4-10,17H,1-3H2;1-10,17-18H;4-6H,1-3H2;4-6,11H,1-3H2;;1H4
• InChIKey: UHOVQAPPIURTPW-UHFFFAOYSA-N
• XLogP: 13.18
• TPSA: 253.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1229.18
LogP ≤ 5	13.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)naphthalen-1-ol;methane;(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate?

The IUPAC name of 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)naphthalen-1-ol;methane;(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate (CID 161094259) is 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)naphthalen-1-ol;methane;(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate.

What is the SMILES notation for 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)naphthalen-1-ol;methane;(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate?

The canonical SMILES for 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)naphthalen-1-ol;methane;(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate is C.O=C1CCCc2cc(-c3ccc(O)cc3)ccc21.O=C1CCCc2cc(O)ccc21.O=C1CCCc2cc(OS(=O)(=O)C(F)(F)F)ccc21.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.Oc1ccc(-c2ccc3c(O)cccc3c2)cc1.

What is the InChIKey of 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)naphthalen-1-ol;methane;(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate?

The InChIKey is UHOVQAPPIURTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2.C16H12O2.C11H9F3O4S.C10H10O2.C2F6O5S2.CH4/c2*17-14-7-4-11(5-8-14)12-6-9-15-13(10-12)2-1-3-16(15)18;12-11(13,14)19(16,17)18-8-4-5-9-7(6-8)2-1-3-10(9)15;11-8-4-5-9-7(6-8)2-1-3-10(9)12;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;/h4-10,17H,1-3H2;1-10,17-18H;4-6H,1-3H2;4-6,11H,1-3H2;;1H4.

What are the key properties of 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)naphthalen-1-ol;methane;(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate?

6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)naphthalen-1-ol;methane;(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate has a molecular weight of 1229.18 g/mol, XLogP of 13.18, 6 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)-3,4-dihydro-2H-naphthalen-1-one;6-(4-hydroxyphenyl)naphthalen-1-ol;methane;(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate is sourced from PubChem (CID 161094259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).