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

C18H17NO3 — CID 142424412

IUPAC2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
SMILESCCOc1cccc(-c2ccc3[nH]cc(CC(=O)O)c3c2)c1
InChIInChI=1S/C18H17NO3/c1-2-22-15-5-3-4-12(8-15)13-6-7-17-16(9-13)14(11-19-17)10-18(20)21/h3-9,11,19H,2,10H2,1H3,(H,20,21)
InChIKeyRHHKDMKCLBIYGK-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.86
Rot. Bonds5

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

2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 142424412) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
PubChem CID142424412
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
SMILESCCOc1cccc(-c2ccc3[nH]cc(CC(=O)O)c3c2)c1
InChIInChI=1S/C18H17NO3/c1-2-22-15-5-3-4-12(8-15)13-6-7-17-16(9-13)14(11-19-17)10-18(20)21/h3-9,11,19H,2,10H2,1H3,(H,20,21)
InChIKeyRHHKDMKCLBIYGK-UHFFFAOYSA-N
XLogP3.86
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 131953217
2-[5-(3,5-dimethylphenyl)-1H-indol-3-yl]acetic acid
CID 95483214
2-[5-bromo-2-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4017002
2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 22485718
2-[5-(4-bromophenyl)-1H-indol-3-yl]acetic acid;ethanol;ethyl 2-[5-(4-bromophenyl)-1H-indol-3-yl]acetate
CID 167604339
2-(5-phenyl-1H-indol-3-yl)acetamide
CID 67245791
2-[2-(3-ethoxyphenyl)-5-iodo-1H-indol-3-yl]acetic acid
CID 3475473
2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine
CID 75465017
(2S)-2-amino-3-(5-ethoxy-1H-indol-3-yl)propanoic acid
CID 131887373
2-(5-butoxy-1H-indol-3-yl)acetic acid;methyl 2-(5-butoxy-1H-indol-3-yl)acetate
CID 158449887
2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 3916073
5-ethoxy-3-propyl-1H-indole;formic acid
CID 142107070

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid (CID 142424412) is 2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid is CCOc1cccc(-c2ccc3[nH]cc(CC(=O)O)c3c2)c1.
What is the InChIKey of 2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is RHHKDMKCLBIYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-22-15-5-3-4-12(8-15)13-6-7-17-16(9-13)14(11-19-17)10-18(20)21/h3-9,11,19H,2,10H2,1H3,(H,20,21).
What are the key properties of 2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid?
2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 142424412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).