methyl 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetate

C23H20N2O3 — CID 90090817

IUPACmethyl 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc21
InChIInChI=1S/C23H20N2O3/c1-27-22(26)15-25-21-13-6-5-12-20(21)23(24-25)18-10-7-11-19(14-18)28-16-17-8-3-2-4-9-17/h2-14H,15-16H2,1H3
InChIKeyWBLPTOYWJXDBTN-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.46
Rot. Bonds6

About methyl 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetate

methyl 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetate (PubChem CID 90090817) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetate
PubChem CID90090817
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Namemethyl 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc21
InChIInChI=1S/C23H20N2O3/c1-27-22(26)15-25-21-13-6-5-12-20(21)23(24-25)18-10-7-11-19(14-18)28-16-17-8-3-2-4-9-17/h2-14H,15-16H2,1H3
InChIKeyWBLPTOYWJXDBTN-UHFFFAOYSA-N
XLogP4.46
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetate?
The IUPAC name of methyl 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetate (CID 90090817) is methyl 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetate is COC(=O)Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc21.
What is the InChIKey of methyl 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetate?
The InChIKey is WBLPTOYWJXDBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-27-22(26)15-25-21-13-6-5-12-20(21)23(24-25)18-10-7-11-19(14-18)28-16-17-8-3-2-4-9-17/h2-14H,15-16H2,1H3.
What are the key properties of methyl 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetate?
methyl 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetate has a molecular weight of 372.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3-phenylmethoxyphenyl)indazol-1-yl]acetate is sourced from PubChem (CID 90090817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).