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

C18H16FNO3 — CID 4213558

IUPAC2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid
SMILESCCOc1ccc2[nH]c(-c3ccccc3F)c(CC(=O)O)c2c1
InChIInChI=1S/C18H16FNO3/c1-2-23-11-7-8-16-13(9-11)14(10-17(21)22)18(20-16)12-5-3-4-6-15(12)19/h3-9,20H,2,10H2,1H3,(H,21,22)
InChIKeyUBTVNGTWTSWZGS-UHFFFAOYSA-N
MW313.33 g/mol
LogP4.00
Rot. Bonds5

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

2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid (PubChem CID 4213558) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid
PubChem CID4213558
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid
SMILESCCOc1ccc2[nH]c(-c3ccccc3F)c(CC(=O)O)c2c1
InChIInChI=1S/C18H16FNO3/c1-2-23-11-7-8-16-13(9-11)14(10-17(21)22)18(20-16)12-5-3-4-6-15(12)19/h3-9,20H,2,10H2,1H3,(H,21,22)
InChIKeyUBTVNGTWTSWZGS-UHFFFAOYSA-N
XLogP4.00
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4004569
2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 3916073
2-[5-butoxy-2-(2,4-difluorophenyl)-1H-indol-3-yl]acetic acid
CID 5105644
2-[2-(3,4-diethoxyphenyl)-5-ethoxy-1H-indol-3-yl]acetic acid
CID 3921291
2-[2-(2,4-difluorophenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 4667197
2-(5-butoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 4991882
2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid
CID 3935848
2-[2-(5-bromo-2-ethoxyphenyl)-5-butoxy-1H-indol-3-yl]acetic acid
CID 4218766
2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3974335
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
2-[2-(3-ethoxyphenyl)-5-iodo-1H-indol-3-yl]acetic acid
CID 3475473
2-[5-bromo-2-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4017002

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid (CID 4213558) is 2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid is CCOc1ccc2[nH]c(-c3ccccc3F)c(CC(=O)O)c2c1.
What is the InChIKey of 2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is UBTVNGTWTSWZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-2-23-11-7-8-16-13(9-11)14(10-17(21)22)18(20-16)12-5-3-4-6-15(12)19/h3-9,20H,2,10H2,1H3,(H,21,22).
What are the key properties of 2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid?
2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 313.33 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 4213558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).