5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole

C19H22N2O — CID 67411375

IUPAC5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole
SMILESCc1ccccc1OCc1ccc2c(cnn2CC(C)C)c1
InChIInChI=1S/C19H22N2O/c1-14(2)12-21-18-9-8-16(10-17(18)11-20-21)13-22-19-7-5-4-6-15(19)3/h4-11,14H,12-13H2,1-3H3
InChIKeyZXSFWVURDUHELZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.58
Rot. Bonds5

About 5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole

5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole (PubChem CID 67411375) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole.

Molecular Properties

Compound Name5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole
PubChem CID67411375
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole
SMILESCc1ccccc1OCc1ccc2c(cnn2CC(C)C)c1
InChIInChI=1S/C19H22N2O/c1-14(2)12-21-18-9-8-16(10-17(18)11-20-21)13-22-19-7-5-4-6-15(19)3/h4-11,14H,12-13H2,1-3H3
InChIKeyZXSFWVURDUHELZ-UHFFFAOYSA-N
XLogP4.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole?
The IUPAC name of 5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole (CID 67411375) is 5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole.
What is the SMILES notation for 5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole?
The canonical SMILES for 5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole is Cc1ccccc1OCc1ccc2c(cnn2CC(C)C)c1.
What is the InChIKey of 5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole?
The InChIKey is ZXSFWVURDUHELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14(2)12-21-18-9-8-16(10-17(18)11-20-21)13-22-19-7-5-4-6-15(19)3/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole?
5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole has a molecular weight of 294.40 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole is sourced from PubChem (CID 67411375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).