2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid

C19H16F3NO3 — CID 5137244

IUPAC2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
SMILESCOc1cc(C)c2[nH]c(-c3ccc(C(F)(F)F)cc3)c(CC(=O)O)c2c1
InChIInChI=1S/C19H16F3NO3/c1-10-7-13(26-2)8-14-15(9-16(24)25)18(23-17(10)14)11-3-5-12(6-4-11)19(20,21)22/h3-8,23H,9H2,1-2H3,(H,24,25)
InChIKeyMNNMCRZQHLZPCT-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.80
Rot. Bonds4

About 2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid

2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid (PubChem CID 5137244) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
PubChem CID5137244
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
SMILESCOc1cc(C)c2[nH]c(-c3ccc(C(F)(F)F)cc3)c(CC(=O)O)c2c1
InChIInChI=1S/C19H16F3NO3/c1-10-7-13(26-2)8-14-15(9-16(24)25)18(23-17(10)14)11-3-5-12(6-4-11)19(20,21)22/h3-8,23H,9H2,1-2H3,(H,24,25)
InChIKeyMNNMCRZQHLZPCT-UHFFFAOYSA-N
XLogP4.80
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5207147
2-[5-methoxy-7-methyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3914330
2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
CID 3909439
2-[2-(3,4-diethoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
CID 3928874
2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
CID 3452357
2-[5,7-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 4569862
2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
CID 4275640
3-(carboxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxylic acid
CID 3956737
2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 5217897
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
2-[4,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3528204
2-[2-(4-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 4280037

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid (CID 5137244) is 2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid is COc1cc(C)c2[nH]c(-c3ccc(C(F)(F)F)cc3)c(CC(=O)O)c2c1.
What is the InChIKey of 2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid?
The InChIKey is MNNMCRZQHLZPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c1-10-7-13(26-2)8-14-15(9-16(24)25)18(23-17(10)14)11-3-5-12(6-4-11)19(20,21)22/h3-8,23H,9H2,1-2H3,(H,24,25).
What are the key properties of 2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid?
2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid has a molecular weight of 363.34 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 5137244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).