1-methyl-3-(3-phenylmethoxyphenyl)indazole

C21H18N2O — CID 134611924

IUPAC1-methyl-3-(3-phenylmethoxyphenyl)indazole
SMILESCn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc21
InChIInChI=1S/C21H18N2O/c1-23-20-13-6-5-12-19(20)21(22-23)17-10-7-11-18(14-17)24-15-16-8-3-2-4-9-16/h2-14H,15H2,1H3
InChIKeyXGEOWNOFCSOVNL-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.82
Rot. Bonds4

About 1-methyl-3-(3-phenylmethoxyphenyl)indazole

1-methyl-3-(3-phenylmethoxyphenyl)indazole (PubChem CID 134611924) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-methyl-3-(3-phenylmethoxyphenyl)indazole.

Molecular Properties

Compound Name1-methyl-3-(3-phenylmethoxyphenyl)indazole
PubChem CID134611924
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name1-methyl-3-(3-phenylmethoxyphenyl)indazole
SMILESCn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc21
InChIInChI=1S/C21H18N2O/c1-23-20-13-6-5-12-19(20)21(22-23)17-10-7-11-18(14-17)24-15-16-8-3-2-4-9-16/h2-14H,15H2,1H3
InChIKeyXGEOWNOFCSOVNL-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-phenylmethoxyphenyl)indazole?
The IUPAC name of 1-methyl-3-(3-phenylmethoxyphenyl)indazole (CID 134611924) is 1-methyl-3-(3-phenylmethoxyphenyl)indazole.
What is the SMILES notation for 1-methyl-3-(3-phenylmethoxyphenyl)indazole?
The canonical SMILES for 1-methyl-3-(3-phenylmethoxyphenyl)indazole is Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(3-phenylmethoxyphenyl)indazole?
The InChIKey is XGEOWNOFCSOVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-23-20-13-6-5-12-19(20)21(22-23)17-10-7-11-18(14-17)24-15-16-8-3-2-4-9-16/h2-14H,15H2,1H3.
What are the key properties of 1-methyl-3-(3-phenylmethoxyphenyl)indazole?
1-methyl-3-(3-phenylmethoxyphenyl)indazole has a molecular weight of 314.39 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-phenylmethoxyphenyl)indazole is sourced from PubChem (CID 134611924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).