2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid

C18H16FNO2 — CID 5212090

IUPAC2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid
SMILESCCc1ccc2[nH]c(-c3ccc(F)cc3)c(CC(=O)O)c2c1
InChIInChI=1S/C18H16FNO2/c1-2-11-3-8-16-14(9-11)15(10-17(21)22)18(20-16)12-4-6-13(19)7-5-12/h3-9,20H,2,10H2,1H3,(H,21,22)
InChIKeySCRWHQROYANOLR-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.16
Rot. Bonds4

About 2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid

2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid (PubChem CID 5212090) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid
PubChem CID5212090
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid
SMILESCCc1ccc2[nH]c(-c3ccc(F)cc3)c(CC(=O)O)c2c1
InChIInChI=1S/C18H16FNO2/c1-2-11-3-8-16-14(9-11)15(10-17(21)22)18(20-16)12-4-6-13(19)7-5-12/h3-9,20H,2,10H2,1H3,(H,21,22)
InChIKeySCRWHQROYANOLR-UHFFFAOYSA-N
XLogP4.16
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-ethyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid
CID 3936804
2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 3679279
2-[5-butan-2-yl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
CID 4023025
2-[2-(3-ethoxy-4-methoxyphenyl)-5-ethyl-1H-indol-3-yl]acetic acid
CID 4545229
2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
CID 5043240
2-[2-(3-ethoxy-4-methoxyphenyl)-5-fluoro-1H-indol-3-yl]acetic acid
CID 3572668
2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
CID 4211114
2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 5217897
2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine
CID 161400298
2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid
CID 3935848
2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 3916073
2-(5-fluoro-2-phenyl-1H-indol-3-yl)acetamide
CID 152609120

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid (CID 5212090) is 2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid is CCc1ccc2[nH]c(-c3ccc(F)cc3)c(CC(=O)O)c2c1.
What is the InChIKey of 2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is SCRWHQROYANOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-2-11-3-8-16-14(9-11)15(10-17(21)22)18(20-16)12-4-6-13(19)7-5-12/h3-9,20H,2,10H2,1H3,(H,21,22).
What are the key properties of 2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid?
2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 297.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 5212090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).