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

C31H24F3NO — CID 66914292

IUPAC4-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
SMILESCc1ccc(COc2cccc(-c3c(-c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1C
InChIInChI=1S/C31H24F3NO/c1-20-14-15-22(16-21(20)2)19-36-25-11-6-10-24(17-25)29-26-12-7-13-28(31(32,33)34)30(26)35-18-27(29)23-8-4-3-5-9-23/h3-18H,19H2,1-2H3
InChIKeyOMKJJGXITAWHOQ-UHFFFAOYSA-N
MW483.53 g/mol
LogP8.78
Rot. Bonds5

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

4-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline (PubChem CID 66914292) has the molecular formula C31H24F3NO and a molecular weight of 483.53 g/mol. Its IUPAC name is 4-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
PubChem CID66914292
Molecular FormulaC31H24F3NO
Molecular Weight483.53 g/mol
Exact Mass483.18
IUPAC Name4-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
SMILESCc1ccc(COc2cccc(-c3c(-c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1C
InChIInChI=1S/C31H24F3NO/c1-20-14-15-22(16-21(20)2)19-36-25-11-6-10-24(17-25)29-26-12-7-13-28(31(32,33)34)30(26)35-18-27(29)23-8-4-3-5-9-23/h3-18H,19H2,1-2H3
InChIKeyOMKJJGXITAWHOQ-UHFFFAOYSA-N
XLogP8.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline (CID 66914292) is 4-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline is Cc1ccc(COc2cccc(-c3c(-c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1C.
What is the InChIKey of 4-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline?
The InChIKey is OMKJJGXITAWHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F3NO/c1-20-14-15-22(16-21(20)2)19-36-25-11-6-10-24(17-25)29-26-12-7-13-28(31(32,33)34)30(26)35-18-27(29)23-8-4-3-5-9-23/h3-18H,19H2,1-2H3.
What are the key properties of 4-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline?
4-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline has a molecular weight of 483.53 g/mol, XLogP of 8.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3,4-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 66914292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).