4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline

C32H26F3NO — CID 66914165

IUPAC4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline
SMILESCc1ccc(C)c(COc2cccc(-c3c(-c4ccccc4C)cnc4c(C(F)(F)F)cccc34)c2)c1
InChIInChI=1S/C32H26F3NO/c1-20-14-15-21(2)24(16-20)19-37-25-10-6-9-23(17-25)30-27-12-7-13-29(32(33,34)35)31(27)36-18-28(30)26-11-5-4-8-22(26)3/h4-18H,19H2,1-3H3
InChIKeyWSBHOQACXHGASB-UHFFFAOYSA-N
MW497.56 g/mol
LogP9.09
Rot. Bonds5

About 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline

4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline (PubChem CID 66914165) has the molecular formula C32H26F3NO and a molecular weight of 497.56 g/mol. Its IUPAC name is 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline
PubChem CID66914165
Molecular FormulaC32H26F3NO
Molecular Weight497.56 g/mol
Exact Mass497.20
IUPAC Name4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline
SMILESCc1ccc(C)c(COc2cccc(-c3c(-c4ccccc4C)cnc4c(C(F)(F)F)cccc34)c2)c1
InChIInChI=1S/C32H26F3NO/c1-20-14-15-21(2)24(16-20)19-37-25-10-6-9-23(17-25)30-27-12-7-13-29(32(33,34)35)31(27)36-18-28(30)26-11-5-4-8-22(26)3/h4-18H,19H2,1-3H3
InChIKeyWSBHOQACXHGASB-UHFFFAOYSA-N
XLogP9.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.56
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline (CID 66914165) is 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline is Cc1ccc(C)c(COc2cccc(-c3c(-c4ccccc4C)cnc4c(C(F)(F)F)cccc34)c2)c1.
What is the InChIKey of 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline?
The InChIKey is WSBHOQACXHGASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F3NO/c1-20-14-15-21(2)24(16-20)19-37-25-10-6-9-23(17-25)30-27-12-7-13-29(32(33,34)35)31(27)36-18-28(30)26-11-5-4-8-22(26)3/h4-18H,19H2,1-3H3.
What are the key properties of 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline?
4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline has a molecular weight of 497.56 g/mol, XLogP of 9.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 66914165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).