2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetic acid

C22H18N2O3 — CID 134611922

IUPAC2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc21
InChIInChI=1S/C22H18N2O3/c25-21(26)14-24-20-12-5-4-11-19(20)22(23-24)17-9-6-10-18(13-17)27-15-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,25,26)
InChIKeyMZTOMYAMIZLVSK-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.37
Rot. Bonds6

About 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetic acid

2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetic acid (PubChem CID 134611922) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetic acid
PubChem CID134611922
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc21
InChIInChI=1S/C22H18N2O3/c25-21(26)14-24-20-12-5-4-11-19(20)22(23-24)17-9-6-10-18(13-17)27-15-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,25,26)
InChIKeyMZTOMYAMIZLVSK-UHFFFAOYSA-N
XLogP4.37
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetic acid (CID 134611922) is 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetic acid is O=C(O)Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc21.
What is the InChIKey of 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetic acid?
The InChIKey is MZTOMYAMIZLVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-21(26)14-24-20-12-5-4-11-19(20)22(23-24)17-9-6-10-18(13-17)27-15-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,25,26).
What are the key properties of 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetic acid?
2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetic acid has a molecular weight of 358.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetic acid is sourced from PubChem (CID 134611922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).