5-(4-methoxyphenoxy)-1H-indazole

C14H12N2O2 — CID 22349444

IUPAC5-(4-methoxyphenoxy)-1H-indazole
SMILESCOc1ccc(Oc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C14H12N2O2/c1-17-11-2-4-12(5-3-11)18-13-6-7-14-10(8-13)9-15-16-14/h2-9H,1H3,(H,15,16)
InChIKeyOKQWCOUKQHQEKP-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.36
Rot. Bonds3

About 5-(4-methoxyphenoxy)-1H-indazole

5-(4-methoxyphenoxy)-1H-indazole (PubChem CID 22349444) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(4-methoxyphenoxy)-1H-indazole.

Molecular Properties

Compound Name5-(4-methoxyphenoxy)-1H-indazole
PubChem CID22349444
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name5-(4-methoxyphenoxy)-1H-indazole
SMILESCOc1ccc(Oc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C14H12N2O2/c1-17-11-2-4-12(5-3-11)18-13-6-7-14-10(8-13)9-15-16-14/h2-9H,1H3,(H,15,16)
InChIKeyOKQWCOUKQHQEKP-UHFFFAOYSA-N
XLogP3.36
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenoxy)-1H-indazole?
The IUPAC name of 5-(4-methoxyphenoxy)-1H-indazole (CID 22349444) is 5-(4-methoxyphenoxy)-1H-indazole.
What is the SMILES notation for 5-(4-methoxyphenoxy)-1H-indazole?
The canonical SMILES for 5-(4-methoxyphenoxy)-1H-indazole is COc1ccc(Oc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of 5-(4-methoxyphenoxy)-1H-indazole?
The InChIKey is OKQWCOUKQHQEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-11-2-4-12(5-3-11)18-13-6-7-14-10(8-13)9-15-16-14/h2-9H,1H3,(H,15,16).
What are the key properties of 5-(4-methoxyphenoxy)-1H-indazole?
5-(4-methoxyphenoxy)-1H-indazole has a molecular weight of 240.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenoxy)-1H-indazole is sourced from PubChem (CID 22349444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).