3-[[2-(3,5-dimethylphenyl)-6-(trifluoromethyl)phenyl]methoxymethyl]-2-methylquinoline

C27H24F3NO — CID 132570727

IUPAC3-[[2-(3,5-dimethylphenyl)-6-(trifluoromethyl)phenyl]methoxymethyl]-2-methylquinoline
SMILESCc1cc(C)cc(-c2cccc(C(F)(F)F)c2COCc2cc3ccccc3nc2C)c1
InChIInChI=1S/C27H24F3NO/c1-17-11-18(2)13-21(12-17)23-8-6-9-25(27(28,29)30)24(23)16-32-15-22-14-20-7-4-5-10-26(20)31-19(22)3/h4-14H,15-16H2,1-3H3
InChIKeyRFLNTWSRJSCNOM-UHFFFAOYSA-N
MW435.49 g/mol
LogP7.56
Rot. Bonds5

About 3-[[2-(3,5-dimethylphenyl)-6-(trifluoromethyl)phenyl]methoxymethyl]-2-methylquinoline

3-[[2-(3,5-dimethylphenyl)-6-(trifluoromethyl)phenyl]methoxymethyl]-2-methylquinoline (PubChem CID 132570727) has the molecular formula C27H24F3NO and a molecular weight of 435.49 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethylphenyl)-6-(trifluoromethyl)phenyl]methoxymethyl]-2-methylquinoline.

Molecular Properties

Compound Name3-[[2-(3,5-dimethylphenyl)-6-(trifluoromethyl)phenyl]methoxymethyl]-2-methylquinoline
PubChem CID132570727
Molecular FormulaC27H24F3NO
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC Name3-[[2-(3,5-dimethylphenyl)-6-(trifluoromethyl)phenyl]methoxymethyl]-2-methylquinoline
SMILESCc1cc(C)cc(-c2cccc(C(F)(F)F)c2COCc2cc3ccccc3nc2C)c1
InChIInChI=1S/C27H24F3NO/c1-17-11-18(2)13-21(12-17)23-8-6-9-25(27(28,29)30)24(23)16-32-15-22-14-20-7-4-5-10-26(20)31-19(22)3/h4-14H,15-16H2,1-3H3
InChIKeyRFLNTWSRJSCNOM-UHFFFAOYSA-N
XLogP7.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethylphenyl)-6-(trifluoromethyl)phenyl]methoxymethyl]-2-methylquinoline?
The IUPAC name of 3-[[2-(3,5-dimethylphenyl)-6-(trifluoromethyl)phenyl]methoxymethyl]-2-methylquinoline (CID 132570727) is 3-[[2-(3,5-dimethylphenyl)-6-(trifluoromethyl)phenyl]methoxymethyl]-2-methylquinoline.
What is the SMILES notation for 3-[[2-(3,5-dimethylphenyl)-6-(trifluoromethyl)phenyl]methoxymethyl]-2-methylquinoline?
The canonical SMILES for 3-[[2-(3,5-dimethylphenyl)-6-(trifluoromethyl)phenyl]methoxymethyl]-2-methylquinoline is Cc1cc(C)cc(-c2cccc(C(F)(F)F)c2COCc2cc3ccccc3nc2C)c1.
What is the InChIKey of 3-[[2-(3,5-dimethylphenyl)-6-(trifluoromethyl)phenyl]methoxymethyl]-2-methylquinoline?
The InChIKey is RFLNTWSRJSCNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3NO/c1-17-11-18(2)13-21(12-17)23-8-6-9-25(27(28,29)30)24(23)16-32-15-22-14-20-7-4-5-10-26(20)31-19(22)3/h4-14H,15-16H2,1-3H3.
What are the key properties of 3-[[2-(3,5-dimethylphenyl)-6-(trifluoromethyl)phenyl]methoxymethyl]-2-methylquinoline?
3-[[2-(3,5-dimethylphenyl)-6-(trifluoromethyl)phenyl]methoxymethyl]-2-methylquinoline has a molecular weight of 435.49 g/mol, XLogP of 7.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethylphenyl)-6-(trifluoromethyl)phenyl]methoxymethyl]-2-methylquinoline is sourced from PubChem (CID 132570727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).