2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one

C13H15F3O2 — CID 103454075

IUPAC2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
SMILESCCCC(O)C(=O)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C13H15F3O2/c1-3-4-11(17)12(18)10-6-5-9(7-8(10)2)13(14,15)16/h5-7,11,17H,3-4H2,1-2H3
InChIKeyXVUOCOQKAWUQPW-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.36
Rot. Bonds4

About 2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one

2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one (PubChem CID 103454075) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
PubChem CID103454075
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
SMILESCCCC(O)C(=O)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C13H15F3O2/c1-3-4-11(17)12(18)10-6-5-9(7-8(10)2)13(14,15)16/h5-7,11,17H,3-4H2,1-2H3
InChIKeyXVUOCOQKAWUQPW-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
CID 102752803
1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one
CID 103454045
2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
CID 91801769
4,4,4-trifluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-one
CID 102752652
3-chloro-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 175668332
2-(pentan-2-ylamino)-5-(trifluoromethyl)benzoic acid
CID 63510340
3-amino-4-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
CID 102756961
(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 103794824
(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757027
2-(2-methylpropylsulfanyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 102752505
3-(methylamino)-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 102756704

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one?
The IUPAC name of 2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one (CID 103454075) is 2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one.
What is the SMILES notation for 2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one?
The canonical SMILES for 2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one is CCCC(O)C(=O)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of 2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one?
The InChIKey is XVUOCOQKAWUQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-3-4-11(17)12(18)10-6-5-9(7-8(10)2)13(14,15)16/h5-7,11,17H,3-4H2,1-2H3.
What are the key properties of 2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one?
2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one has a molecular weight of 260.25 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one is sourced from PubChem (CID 103454075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).