2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine

C20H16F3NO — CID 2435081

IUPAC2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine
SMILESCc1ccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)c(C)c2)cc1
InChIInChI=1S/C20H16F3NO/c1-13-3-5-15(6-4-13)16-7-9-18(14(2)11-16)25-19-10-8-17(12-24-19)20(21,22)23/h3-12H,1-2H3
InChIKeyDCKNFBDWCCKSMA-UHFFFAOYSA-N
MW343.35 g/mol
LogP6.18
Rot. Bonds3

About 2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine

2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine (PubChem CID 2435081) has the molecular formula C20H16F3NO and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine
PubChem CID2435081
Molecular FormulaC20H16F3NO
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine
SMILESCc1ccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)c(C)c2)cc1
InChIInChI=1S/C20H16F3NO/c1-13-3-5-15(6-4-13)16-7-9-18(14(2)11-16)25-19-10-8-17(12-24-19)20(21,22)23/h3-12H,1-2H3
InChIKeyDCKNFBDWCCKSMA-UHFFFAOYSA-N
XLogP6.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine (CID 2435081) is 2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine is Cc1ccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)c(C)c2)cc1.
What is the InChIKey of 2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is DCKNFBDWCCKSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO/c1-13-3-5-15(6-4-13)16-7-9-18(14(2)11-16)25-19-10-8-17(12-24-19)20(21,22)23/h3-12H,1-2H3.
What are the key properties of 2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine?
2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 343.35 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2435081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).