2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid

C25H19ClF3NO3 — CID 22669727

IUPAC2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid
SMILESCc1cc(CC(=O)O)cc(C(F)(F)F)c1Oc1ccc2[nH]cc(Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C25H19ClF3NO3/c1-14-8-16(11-23(31)32)10-21(25(27,28)29)24(14)33-19-6-7-22-20(12-19)17(13-30-22)9-15-2-4-18(26)5-3-15/h2-8,10,12-13,30H,9,11H2,1H3,(H,31,32)
InChIKeyMYJXYPLSRSWWJR-UHFFFAOYSA-N
MW473.88 g/mol
LogP7.16
Rot. Bonds6

About 2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid

2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid (PubChem CID 22669727) has the molecular formula C25H19ClF3NO3 and a molecular weight of 473.88 g/mol. Its IUPAC name is 2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid
PubChem CID22669727
Molecular FormulaC25H19ClF3NO3
Molecular Weight473.88 g/mol
Exact Mass473.10
IUPAC Name2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid
SMILESCc1cc(CC(=O)O)cc(C(F)(F)F)c1Oc1ccc2[nH]cc(Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C25H19ClF3NO3/c1-14-8-16(11-23(31)32)10-21(25(27,28)29)24(14)33-19-6-7-22-20(12-19)17(13-30-22)9-15-2-4-18(26)5-3-15/h2-8,10,12-13,30H,9,11H2,1H3,(H,31,32)
InChIKeyMYJXYPLSRSWWJR-UHFFFAOYSA-N
XLogP7.16
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.88
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid with MolForge

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Related Compounds

2-[3-bromo-4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-5-(trifluoromethyl)phenyl]acetic acid
CID 22669391
2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid
CID 22669811
2-[4-[(3-hexyl-1H-indol-5-yl)oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid
CID 22669793
2-[3,5-dibromo-4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]phenyl]-2,2-difluoroacetic acid
CID 22669889
2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid
CID 22669773
2-[3-methyl-4-[[3-(2-methylpropyl)-1H-indol-5-yl]oxy]-5-(trifluoromethyl)phenoxy]acetic acid
CID 22669490
2-[4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenoxy]acetic acid
CID 22669887
2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid
CID 82622241
2-[4-[(3-butan-2-yl-1H-indol-5-yl)oxy]-3-methyl-5-(trifluoromethyl)phenoxy]acetic acid
CID 22669847
2-[4-[(3-butyl-1H-indol-5-yl)oxy]-3-chloro-5-methylphenoxy]acetic acid
CID 22669547
2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid
CID 91257622
2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 22485718

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid (CID 22669727) is 2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid is Cc1cc(CC(=O)O)cc(C(F)(F)F)c1Oc1ccc2[nH]cc(Cc3ccc(Cl)cc3)c2c1.
What is the InChIKey of 2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is MYJXYPLSRSWWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3NO3/c1-14-8-16(11-23(31)32)10-21(25(27,28)29)24(14)33-19-6-7-22-20(12-19)17(13-30-22)9-15-2-4-18(26)5-3-15/h2-8,10,12-13,30H,9,11H2,1H3,(H,31,32).
What are the key properties of 2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid?
2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 473.88 g/mol, XLogP of 7.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 22669727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).