7-methylnaphthalen-2-ol;2-methyl-7-(trifluoromethylsulfonyl)naphthalene

C23H19F3O3S — CID 158909497

IUPAC7-methylnaphthalen-2-ol;2-methyl-7-(trifluoromethylsulfonyl)naphthalene
SMILESCc1ccc2ccc(O)cc2c1.Cc1ccc2ccc(S(=O)(=O)C(F)(F)F)cc2c1
InChIInChI=1S/C12H9F3O2S.C11H10O/c1-8-2-3-9-4-5-11(7-10(9)6-8)18(16,17)12(13,14)15;1-8-2-3-9-4-5-11(12)7-10(9)6-8/h2-7H,1H3;2-7,12H,1H3
InChIKeyJGLQNAVYNHELIC-UHFFFAOYSA-N
MW432.46 g/mol
LogP6.30
Rot. Bonds1

About 7-methylnaphthalen-2-ol;2-methyl-7-(trifluoromethylsulfonyl)naphthalene

7-methylnaphthalen-2-ol;2-methyl-7-(trifluoromethylsulfonyl)naphthalene (PubChem CID 158909497) has the molecular formula C23H19F3O3S and a molecular weight of 432.46 g/mol. Its IUPAC name is 7-methylnaphthalen-2-ol;2-methyl-7-(trifluoromethylsulfonyl)naphthalene.

Molecular Properties

Compound Name7-methylnaphthalen-2-ol;2-methyl-7-(trifluoromethylsulfonyl)naphthalene
PubChem CID158909497
Molecular FormulaC23H19F3O3S
Molecular Weight432.46 g/mol
Exact Mass432.10
IUPAC Name7-methylnaphthalen-2-ol;2-methyl-7-(trifluoromethylsulfonyl)naphthalene
SMILESCc1ccc2ccc(O)cc2c1.Cc1ccc2ccc(S(=O)(=O)C(F)(F)F)cc2c1
InChIInChI=1S/C12H9F3O2S.C11H10O/c1-8-2-3-9-4-5-11(7-10(9)6-8)18(16,17)12(13,14)15;1-8-2-3-9-4-5-11(12)7-10(9)6-8/h2-7H,1H3;2-7,12H,1H3
InChIKeyJGLQNAVYNHELIC-UHFFFAOYSA-N
XLogP6.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylnaphthalen-2-ol;2-methyl-7-(trifluoromethylsulfonyl)naphthalene?
The IUPAC name of 7-methylnaphthalen-2-ol;2-methyl-7-(trifluoromethylsulfonyl)naphthalene (CID 158909497) is 7-methylnaphthalen-2-ol;2-methyl-7-(trifluoromethylsulfonyl)naphthalene.
What is the SMILES notation for 7-methylnaphthalen-2-ol;2-methyl-7-(trifluoromethylsulfonyl)naphthalene?
The canonical SMILES for 7-methylnaphthalen-2-ol;2-methyl-7-(trifluoromethylsulfonyl)naphthalene is Cc1ccc2ccc(O)cc2c1.Cc1ccc2ccc(S(=O)(=O)C(F)(F)F)cc2c1.
What is the InChIKey of 7-methylnaphthalen-2-ol;2-methyl-7-(trifluoromethylsulfonyl)naphthalene?
The InChIKey is JGLQNAVYNHELIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O2S.C11H10O/c1-8-2-3-9-4-5-11(7-10(9)6-8)18(16,17)12(13,14)15;1-8-2-3-9-4-5-11(12)7-10(9)6-8/h2-7H,1H3;2-7,12H,1H3.
What are the key properties of 7-methylnaphthalen-2-ol;2-methyl-7-(trifluoromethylsulfonyl)naphthalene?
7-methylnaphthalen-2-ol;2-methyl-7-(trifluoromethylsulfonyl)naphthalene has a molecular weight of 432.46 g/mol, XLogP of 6.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylnaphthalen-2-ol;2-methyl-7-(trifluoromethylsulfonyl)naphthalene is sourced from PubChem (CID 158909497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).