2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol

C16H16F3NO — CID 102707787

IUPAC2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESCc1cc(C)cc(CC(O)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-10-5-11(2)7-12(6-10)8-15(21)13-9-20-4-3-14(13)16(17,18)19/h3-7,9,15,21H,8H2,1-2H3
InChIKeyAPPZDOCVBCVYLS-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.99
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol

2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (PubChem CID 102707787) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
PubChem CID102707787
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESCc1cc(C)cc(CC(O)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-10-5-11(2)7-12(6-10)8-15(21)13-9-20-4-3-14(13)16(17,18)19/h3-7,9,15,21H,8H2,1-2H3
InChIKeyAPPZDOCVBCVYLS-UHFFFAOYSA-N
XLogP3.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol
CID 102707275
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
CID 102707910
3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102707904
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 102710209
(3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707278
(2-methoxy-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710239
4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102710133
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710062

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (CID 102707787) is 2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is Cc1cc(C)cc(CC(O)c2cnccc2C(F)(F)F)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The InChIKey is APPZDOCVBCVYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-10-5-11(2)7-12(6-10)8-15(21)13-9-20-4-3-14(13)16(17,18)19/h3-7,9,15,21H,8H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol has a molecular weight of 295.30 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 102707787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).