2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic acid

C21H15FN2O4 — CID 163233866

IUPAC2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1
InChIInChI=1S/C21H15FN2O4/c22-18-7-4-16(10-20(18)25)24-19-8-3-14(9-15(19)11-23-24)13-1-5-17(6-2-13)28-12-21(26)27/h1-11,25H,12H2,(H,26,27)
InChIKeyKJVRFVVIHRNMGX-UHFFFAOYSA-N
MW378.36 g/mol
LogP4.00
Rot. Bonds5

About 2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic acid

2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic acid (PubChem CID 163233866) has the molecular formula C21H15FN2O4 and a molecular weight of 378.36 g/mol. Its IUPAC name is 2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic acid
PubChem CID163233866
Molecular FormulaC21H15FN2O4
Molecular Weight378.36 g/mol
Exact Mass378.10
IUPAC Name2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1
InChIInChI=1S/C21H15FN2O4/c22-18-7-4-16(10-20(18)25)24-19-8-3-14(9-15(19)11-23-24)13-1-5-17(6-2-13)28-12-21(26)27/h1-11,25H,12H2,(H,26,27)
InChIKeyKJVRFVVIHRNMGX-UHFFFAOYSA-N
XLogP4.00
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic 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

[4-Difluoromethoxy-2-ethyl-8-fluoro-3-(4-pyrazol-1-yl-benzyl)quinolin-5-yloxy]acetic acid
CID 24995212
5-(2-Ethoxyphenyl)-1-(4-fluorophenyl)indazole
CID 46830800
5-(3-Ethoxyphenyl)-1-(4-fluorophenyl)indazole
CID 46830801
4-[4-(6-Cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid
CID 121447548
2-Fluoro-5-(5-(4-methoxyphenyl)-1H-indazol-1-yl)phenol
CID 163233868
2-Fluoro-5-(5-(4-hydroxyphenyl)-1H-indazol-1-yl)phenol
CID 163233888
5-(5-(2-Chloro-4-(difluoromethoxy)phenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233946
3-(4-(1-(4-Fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)phenoxy)propanoic acid
CID 163234082
2-Fluoro-5-(5-(2-methoxyphenyl)-1H-indazol-1-yl)phenol
CID 163234083
5-(5-(3-Chloro-4-methoxyphenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163234127
2,3-Difluoro-5-(5-(6-methoxypyridin-3-yl)-1H-indazol-1-yl)phenol
CID 163234170
2-Fluoro-5-(5-(4-hydroxy-2-methylphenyl)-1H-indazol-1-yl)phenol
CID 163234218

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic acid (CID 163233866) is 2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic acid is O=C(O)COc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1.
What is the InChIKey of 2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic acid?
The InChIKey is KJVRFVVIHRNMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O4/c22-18-7-4-16(10-20(18)25)24-19-8-3-14(9-15(19)11-23-24)13-1-5-17(6-2-13)28-12-21(26)27/h1-11,25H,12H2,(H,26,27).
What are the key properties of 2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic acid?
2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic acid has a molecular weight of 378.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenoxy]acetic acid is sourced from PubChem (CID 163233866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).