6-methoxy-3-(4-methoxyphenyl)-1-phenylindazole

C21H18N2O2 — CID 71561020

IUPAC6-methoxy-3-(4-methoxyphenyl)-1-phenylindazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)c3cc(OC)ccc23)cc1
InChIInChI=1S/C21H18N2O2/c1-24-17-10-8-15(9-11-17)21-19-13-12-18(25-2)14-20(19)23(22-21)16-6-4-3-5-7-16/h3-14H,1-2H3
InChIKeyHYFFBOWUYFPBTA-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.71
Rot. Bonds4

About 6-methoxy-3-(4-methoxyphenyl)-1-phenylindazole

6-methoxy-3-(4-methoxyphenyl)-1-phenylindazole (PubChem CID 71561020) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-methoxy-3-(4-methoxyphenyl)-1-phenylindazole.

Molecular Properties

Compound Name6-methoxy-3-(4-methoxyphenyl)-1-phenylindazole
PubChem CID71561020
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name6-methoxy-3-(4-methoxyphenyl)-1-phenylindazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)c3cc(OC)ccc23)cc1
InChIInChI=1S/C21H18N2O2/c1-24-17-10-8-15(9-11-17)21-19-13-12-18(25-2)14-20(19)23(22-21)16-6-4-3-5-7-16/h3-14H,1-2H3
InChIKeyHYFFBOWUYFPBTA-UHFFFAOYSA-N
XLogP4.71
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methoxyphenyl)-1-phenylindazole?
The IUPAC name of 6-methoxy-3-(4-methoxyphenyl)-1-phenylindazole (CID 71561020) is 6-methoxy-3-(4-methoxyphenyl)-1-phenylindazole.
What is the SMILES notation for 6-methoxy-3-(4-methoxyphenyl)-1-phenylindazole?
The canonical SMILES for 6-methoxy-3-(4-methoxyphenyl)-1-phenylindazole is COc1ccc(-c2nn(-c3ccccc3)c3cc(OC)ccc23)cc1.
What is the InChIKey of 6-methoxy-3-(4-methoxyphenyl)-1-phenylindazole?
The InChIKey is HYFFBOWUYFPBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-24-17-10-8-15(9-11-17)21-19-13-12-18(25-2)14-20(19)23(22-21)16-6-4-3-5-7-16/h3-14H,1-2H3.
What are the key properties of 6-methoxy-3-(4-methoxyphenyl)-1-phenylindazole?
6-methoxy-3-(4-methoxyphenyl)-1-phenylindazole has a molecular weight of 330.39 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methoxyphenyl)-1-phenylindazole is sourced from PubChem (CID 71561020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).