1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one

C12H11F3O2 — CID 15568759

IUPAC1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one
SMILESCc1cccc2c1CCC(=O)C2(O)C(F)(F)F
InChIInChI=1S/C12H11F3O2/c1-7-3-2-4-9-8(7)5-6-10(16)11(9,17)12(13,14)15/h2-4,17H,5-6H2,1H3
InChIKeyRXECGTQCNDLBGK-UHFFFAOYSA-N
MW244.21 g/mol
LogP2.26
Rot. Bonds

About 1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one

1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one (PubChem CID 15568759) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one.

Molecular Properties

Compound Name1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one
PubChem CID15568759
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one
SMILESCc1cccc2c1CCC(=O)C2(O)C(F)(F)F
InChIInChI=1S/C12H11F3O2/c1-7-3-2-4-9-8(7)5-6-10(16)11(9,17)12(13,14)15/h2-4,17H,5-6H2,1H3
InChIKeyRXECGTQCNDLBGK-UHFFFAOYSA-N
XLogP2.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one?
The IUPAC name of 1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one (CID 15568759) is 1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one.
What is the SMILES notation for 1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one?
The canonical SMILES for 1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one is Cc1cccc2c1CCC(=O)C2(O)C(F)(F)F.
What is the InChIKey of 1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one?
The InChIKey is RXECGTQCNDLBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O2/c1-7-3-2-4-9-8(7)5-6-10(16)11(9,17)12(13,14)15/h2-4,17H,5-6H2,1H3.
What are the key properties of 1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one?
1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one has a molecular weight of 244.21 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one is sourced from PubChem (CID 15568759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).