3-(2-indol-1-ylethoxy)benzoic acid

C17H15NO3 — CID 43532512

IUPAC3-(2-indol-1-ylethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCCn2ccc3ccccc32)c1
InChIInChI=1S/C17H15NO3/c19-17(20)14-5-3-6-15(12-14)21-11-10-18-9-8-13-4-1-2-7-16(13)18/h1-9,12H,10-11H2,(H,19,20)
InChIKeyZXIXXBILCMNLEU-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.42
Rot. Bonds5

About 3-(2-indol-1-ylethoxy)benzoic acid

3-(2-indol-1-ylethoxy)benzoic acid (PubChem CID 43532512) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(2-indol-1-ylethoxy)benzoic acid.

Molecular Properties

Compound Name3-(2-indol-1-ylethoxy)benzoic acid
PubChem CID43532512
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name3-(2-indol-1-ylethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCCn2ccc3ccccc32)c1
InChIInChI=1S/C17H15NO3/c19-17(20)14-5-3-6-15(12-14)21-11-10-18-9-8-13-4-1-2-7-16(13)18/h1-9,12H,10-11H2,(H,19,20)
InChIKeyZXIXXBILCMNLEU-UHFFFAOYSA-N
XLogP3.42
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-indazol-1-ylethoxy)benzoic acid
CID 62141673
methyl 2-[3-(2-indol-1-ylethoxy)phenyl]sulfanyl-2-methylpropanoate
CID 10022016
3-ethoxy-N-(2-indol-1-ylethyl)benzamide
CID 108726430
1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid
CID 58213856
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
3-(2-naphthalen-2-ylethoxy)benzoic acid
CID 139922082
3-[3-(2-aminobenzimidazol-1-yl)propoxy]benzoic acid
CID 70881430
1-[2-(2-indol-1-ylethoxy)phenyl]ethanone
CID 62025183
3-[2-(4,5-dicyanoimidazol-1-yl)ethoxy]benzoic acid
CID 115944669
3-[2-(5-methyl-2-oxopyrimidin-1-yl)ethoxy]benzoic acid
CID 63205932
4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide
CID 52715106
3-[2-[bis[2-(3-carboxyphenoxy)ethyl]amino]ethoxy]benzoic acid
CID 86096219

Frequently Asked Questions

What is the IUPAC name of 3-(2-indol-1-ylethoxy)benzoic acid?
The IUPAC name of 3-(2-indol-1-ylethoxy)benzoic acid (CID 43532512) is 3-(2-indol-1-ylethoxy)benzoic acid.
What is the SMILES notation for 3-(2-indol-1-ylethoxy)benzoic acid?
The canonical SMILES for 3-(2-indol-1-ylethoxy)benzoic acid is O=C(O)c1cccc(OCCn2ccc3ccccc32)c1.
What is the InChIKey of 3-(2-indol-1-ylethoxy)benzoic acid?
The InChIKey is ZXIXXBILCMNLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-17(20)14-5-3-6-15(12-14)21-11-10-18-9-8-13-4-1-2-7-16(13)18/h1-9,12H,10-11H2,(H,19,20).
What are the key properties of 3-(2-indol-1-ylethoxy)benzoic acid?
3-(2-indol-1-ylethoxy)benzoic acid has a molecular weight of 281.31 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-indol-1-ylethoxy)benzoic acid is sourced from PubChem (CID 43532512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).