2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol

C16H15F3O — CID 62538036

IUPAC2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol
SMILESCc1ccc(C)c(CC(O)c2c(F)cc(F)cc2F)c1
InChIInChI=1S/C16H15F3O/c1-9-3-4-10(2)11(5-9)6-15(20)16-13(18)7-12(17)8-14(16)19/h3-5,7-8,15,20H,6H2,1-2H3
InChIKeyLDALUKLPLVRIDO-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.00
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol

2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol (PubChem CID 62538036) has the molecular formula C16H15F3O and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol
PubChem CID62538036
Molecular FormulaC16H15F3O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol
SMILESCc1ccc(C)c(CC(O)c2c(F)cc(F)cc2F)c1
InChIInChI=1S/C16H15F3O/c1-9-3-4-10(2)11(5-9)6-15(20)16-13(18)7-12(17)8-14(16)19/h3-5,7-8,15,20H,6H2,1-2H3
InChIKeyLDALUKLPLVRIDO-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 61482044
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 55149164
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 114981178
2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106879490
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372816
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895079
2-(2-chlorophenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 61086934
1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene
CID 55219697
1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-3-fluoro-5-methylbenzene
CID 113396025
2-(2,5-dimethylphenyl)-1-thiophen-2-ylethanol
CID 61481652

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol (CID 62538036) is 2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol is Cc1ccc(C)c(CC(O)c2c(F)cc(F)cc2F)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol?
The InChIKey is LDALUKLPLVRIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O/c1-9-3-4-10(2)11(5-9)6-15(20)16-13(18)7-12(17)8-14(16)19/h3-5,7-8,15,20H,6H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol?
2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol has a molecular weight of 280.29 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol is sourced from PubChem (CID 62538036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).