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

C31H24F3NO — CID 66914057

IUPAC4-[3-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
SMILESCc1cccc(COc2cccc(-c3c(-c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1C
InChIInChI=1S/C31H24F3NO/c1-20-9-6-13-24(21(20)2)19-36-25-14-7-12-23(17-25)29-26-15-8-16-28(31(32,33)34)30(26)35-18-27(29)22-10-4-3-5-11-22/h3-18H,19H2,1-2H3
InChIKeyTVGDNQBXXFXFHC-UHFFFAOYSA-N
MW483.53 g/mol
LogP8.78
Rot. Bonds5

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

4-[3-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline (PubChem CID 66914057) has the molecular formula C31H24F3NO and a molecular weight of 483.53 g/mol. Its IUPAC name is 4-[3-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[3-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
PubChem CID66914057
Molecular FormulaC31H24F3NO
Molecular Weight483.53 g/mol
Exact Mass483.18
IUPAC Name4-[3-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
SMILESCc1cccc(COc2cccc(-c3c(-c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1C
InChIInChI=1S/C31H24F3NO/c1-20-9-6-13-24(21(20)2)19-36-25-14-7-12-23(17-25)29-26-15-8-16-28(31(32,33)34)30(26)35-18-27(29)22-10-4-3-5-11-22/h3-18H,19H2,1-2H3
InChIKeyTVGDNQBXXFXFHC-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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Related Compounds

4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 66914261
4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline
CID 66914378
4-[3-[[4-(chloromethyl)phenyl]methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 141119965
[2-methyl-4-[[3-[3-phenyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl] acetate
CID 66914712
2-[4-[3-[(2-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde
CID 87202481
3-(2-methylphenyl)-4-[3-[(4-nitrophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline
CID 66913911
2-[4-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]-2,5-dimethylphenyl]acetic acid
CID 25225786
(E)-2-methyl-3-[4-[[3-[3-phenyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]prop-2-enoic acid
CID 68812320
3-[3-[[3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanoic acid
CID 66914049
3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol
CID 66913968
3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline
CID 66914038
4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline
CID 66913406

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-[3-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline (CID 66914057) is 4-[3-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[3-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[3-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline is Cc1cccc(COc2cccc(-c3c(-c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1C.
What is the InChIKey of 4-[3-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline?
The InChIKey is TVGDNQBXXFXFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F3NO/c1-20-9-6-13-24(21(20)2)19-36-25-14-7-12-23(17-25)29-26-15-8-16-28(31(32,33)34)30(26)35-18-27(29)22-10-4-3-5-11-22/h3-18H,19H2,1-2H3.
What are the key properties of 4-[3-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline?
4-[3-[(2,3-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-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 66914057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).