[4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol

C16H16F3NO — CID 102707275

IUPAC[4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cnccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C16H16F3NO/c1-9-6-10(2)14(11(3)7-9)15(21)12-8-20-5-4-13(12)16(17,18)19/h4-8,15,21H,1-3H3
InChIKeyWLHIIECHQDHPGU-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.11
Rot. Bonds2

About [4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol

[4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol (PubChem CID 102707275) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is [4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol.

Molecular Properties

Compound Name[4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol
PubChem CID102707275
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name[4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cnccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C16H16F3NO/c1-9-6-10(2)14(11(3)7-9)15(21)12-8-20-5-4-13(12)16(17,18)19/h4-8,15,21H,1-3H3
InChIKeyWLHIIECHQDHPGU-UHFFFAOYSA-N
XLogP4.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707278
2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707787
(4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707423
(2-methoxy-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710239
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
(2,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707286
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710062
(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707279
(5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707294
(2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707425
pyrazolo[1,5-a]pyrazin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 103129340
(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710195

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol?
The IUPAC name of [4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol (CID 102707275) is [4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol.
What is the SMILES notation for [4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol?
The canonical SMILES for [4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2cnccc2C(F)(F)F)c(C)c1.
What is the InChIKey of [4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol?
The InChIKey is WLHIIECHQDHPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-9-6-10(2)14(11(3)7-9)15(21)12-8-20-5-4-13(12)16(17,18)19/h4-8,15,21H,1-3H3.
What are the key properties of [4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol?
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol has a molecular weight of 295.30 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol is sourced from PubChem (CID 102707275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).