7-chloro-1-methyl-4-(4-methylphenoxy)indazole

C15H13ClN2O — CID 144876949

IUPAC7-chloro-1-methyl-4-(4-methylphenoxy)indazole
SMILESCc1ccc(Oc2ccc(Cl)c3c2cnn3C)cc1
InChIInChI=1S/C15H13ClN2O/c1-10-3-5-11(6-4-10)19-14-8-7-13(16)15-12(14)9-17-18(15)2/h3-9H,1-2H3
InChIKeyMUMGLJKORNFLIH-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.33
Rot. Bonds2

About 7-chloro-1-methyl-4-(4-methylphenoxy)indazole

7-chloro-1-methyl-4-(4-methylphenoxy)indazole (PubChem CID 144876949) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 7-chloro-1-methyl-4-(4-methylphenoxy)indazole.

Molecular Properties

Compound Name7-chloro-1-methyl-4-(4-methylphenoxy)indazole
PubChem CID144876949
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name7-chloro-1-methyl-4-(4-methylphenoxy)indazole
SMILESCc1ccc(Oc2ccc(Cl)c3c2cnn3C)cc1
InChIInChI=1S/C15H13ClN2O/c1-10-3-5-11(6-4-10)19-14-8-7-13(16)15-12(14)9-17-18(15)2/h3-9H,1-2H3
InChIKeyMUMGLJKORNFLIH-UHFFFAOYSA-N
XLogP4.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-4-(4-methylphenoxy)indazole?
The IUPAC name of 7-chloro-1-methyl-4-(4-methylphenoxy)indazole (CID 144876949) is 7-chloro-1-methyl-4-(4-methylphenoxy)indazole.
What is the SMILES notation for 7-chloro-1-methyl-4-(4-methylphenoxy)indazole?
The canonical SMILES for 7-chloro-1-methyl-4-(4-methylphenoxy)indazole is Cc1ccc(Oc2ccc(Cl)c3c2cnn3C)cc1.
What is the InChIKey of 7-chloro-1-methyl-4-(4-methylphenoxy)indazole?
The InChIKey is MUMGLJKORNFLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-10-3-5-11(6-4-10)19-14-8-7-13(16)15-12(14)9-17-18(15)2/h3-9H,1-2H3.
What are the key properties of 7-chloro-1-methyl-4-(4-methylphenoxy)indazole?
7-chloro-1-methyl-4-(4-methylphenoxy)indazole has a molecular weight of 272.74 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-4-(4-methylphenoxy)indazole is sourced from PubChem (CID 144876949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).