3-benzyl-6-methoxy-2-phenylindazole

C21H18N2O — CID 25218036

IUPAC3-benzyl-6-methoxy-2-phenylindazole
SMILESCOc1ccc2c(Cc3ccccc3)n(-c3ccccc3)nc2c1
InChIInChI=1S/C21H18N2O/c1-24-18-12-13-19-20(15-18)22-23(17-10-6-3-7-11-17)21(19)14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3
InChIKeyHVGOYRDSUIHZFE-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.62
Rot. Bonds4

About 3-benzyl-6-methoxy-2-phenylindazole

3-benzyl-6-methoxy-2-phenylindazole (PubChem CID 25218036) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-benzyl-6-methoxy-2-phenylindazole.

Molecular Properties

Compound Name3-benzyl-6-methoxy-2-phenylindazole
PubChem CID25218036
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name3-benzyl-6-methoxy-2-phenylindazole
SMILESCOc1ccc2c(Cc3ccccc3)n(-c3ccccc3)nc2c1
InChIInChI=1S/C21H18N2O/c1-24-18-12-13-19-20(15-18)22-23(17-10-6-3-7-11-17)21(19)14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3
InChIKeyHVGOYRDSUIHZFE-UHFFFAOYSA-N
XLogP4.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-methoxy-2-phenylindazole?
The IUPAC name of 3-benzyl-6-methoxy-2-phenylindazole (CID 25218036) is 3-benzyl-6-methoxy-2-phenylindazole.
What is the SMILES notation for 3-benzyl-6-methoxy-2-phenylindazole?
The canonical SMILES for 3-benzyl-6-methoxy-2-phenylindazole is COc1ccc2c(Cc3ccccc3)n(-c3ccccc3)nc2c1.
What is the InChIKey of 3-benzyl-6-methoxy-2-phenylindazole?
The InChIKey is HVGOYRDSUIHZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-24-18-12-13-19-20(15-18)22-23(17-10-6-3-7-11-17)21(19)14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3.
What are the key properties of 3-benzyl-6-methoxy-2-phenylindazole?
3-benzyl-6-methoxy-2-phenylindazole has a molecular weight of 314.39 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-methoxy-2-phenylindazole is sourced from PubChem (CID 25218036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).