2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole

C22H20N2O — CID 11645597

IUPAC2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
SMILESCOc1ccc(Cn2nc3ccccc3c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20N2O/c1-16-7-11-18(12-8-16)22-20-5-3-4-6-21(20)23-24(22)15-17-9-13-19(25-2)14-10-17/h3-14H,15H2,1-2H3
InChIKeyWGFNKMREZUSWJF-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.07
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole

2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole (PubChem CID 11645597) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
PubChem CID11645597
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
SMILESCOc1ccc(Cn2nc3ccccc3c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20N2O/c1-16-7-11-18(12-8-16)22-20-5-3-4-6-21(20)23-24(22)15-17-9-13-19(25-2)14-10-17/h3-14H,15H2,1-2H3
InChIKeyWGFNKMREZUSWJF-UHFFFAOYSA-N
XLogP5.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole (CID 11645597) is 2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole is COc1ccc(Cn2nc3ccccc3c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole?
The InChIKey is WGFNKMREZUSWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-16-7-11-18(12-8-16)22-20-5-3-4-6-21(20)23-24(22)15-17-9-13-19(25-2)14-10-17/h3-14H,15H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole?
2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole has a molecular weight of 328.42 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole is sourced from PubChem (CID 11645597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).