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

C16H14N2O3 — CID 62141673

IUPAC3-(2-indazol-1-ylethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCCn2ncc3ccccc32)c1
InChIInChI=1S/C16H14N2O3/c19-16(20)12-5-3-6-14(10-12)21-9-8-18-15-7-2-1-4-13(15)11-17-18/h1-7,10-11H,8-9H2,(H,19,20)
InChIKeyNWJNHSVDVJQWBO-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.81
Rot. Bonds5

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

3-(2-indazol-1-ylethoxy)benzoic acid (PubChem CID 62141673) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(2-indazol-1-ylethoxy)benzoic acid.

Molecular Properties

Compound Name3-(2-indazol-1-ylethoxy)benzoic acid
PubChem CID62141673
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-(2-indazol-1-ylethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCCn2ncc3ccccc32)c1
InChIInChI=1S/C16H14N2O3/c19-16(20)12-5-3-6-14(10-12)21-9-8-18-15-7-2-1-4-13(15)11-17-18/h1-7,10-11H,8-9H2,(H,19,20)
InChIKeyNWJNHSVDVJQWBO-UHFFFAOYSA-N
XLogP2.81
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-indazol-1-ylethoxy)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-indol-1-ylethoxy)benzoic acid
CID 43532512
3-[2-(3-methyl-6-oxopyridazin-1-yl)ethoxy]benzoic acid
CID 62923349
3-[3-(2-aminobenzimidazol-1-yl)propoxy]benzoic acid
CID 70881430
3-indazol-1-ylpropanoic acid
CID 805922
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
3-(2-naphthalen-2-ylethoxy)benzoic acid
CID 139922082
2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine
CID 62139987
3-[2-(5-methyl-2-oxopyrimidin-1-yl)ethoxy]benzoic acid
CID 63205932
3-[2-[bis[2-(3-carboxyphenoxy)ethyl]amino]ethoxy]benzoic acid
CID 86096219
3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 79188544
1-(4-chlorobutyl)indazole
CID 62140548
3-[2-(3,5-dioxopiperazin-1-yl)ethoxy]benzoic acid
CID 66085716

Frequently Asked Questions

What is the IUPAC name of 3-(2-indazol-1-ylethoxy)benzoic acid?
The IUPAC name of 3-(2-indazol-1-ylethoxy)benzoic acid (CID 62141673) is 3-(2-indazol-1-ylethoxy)benzoic acid.
What is the SMILES notation for 3-(2-indazol-1-ylethoxy)benzoic acid?
The canonical SMILES for 3-(2-indazol-1-ylethoxy)benzoic acid is O=C(O)c1cccc(OCCn2ncc3ccccc32)c1.
What is the InChIKey of 3-(2-indazol-1-ylethoxy)benzoic acid?
The InChIKey is NWJNHSVDVJQWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16(20)12-5-3-6-14(10-12)21-9-8-18-15-7-2-1-4-13(15)11-17-18/h1-7,10-11H,8-9H2,(H,19,20).
What are the key properties of 3-(2-indazol-1-ylethoxy)benzoic acid?
3-(2-indazol-1-ylethoxy)benzoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-indazol-1-ylethoxy)benzoic acid is sourced from PubChem (CID 62141673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).