3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole

C17H18N2O — CID 51357039

IUPAC3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole
SMILESCc1ccc(COc2nn(C)c3ccccc23)cc1C
InChIInChI=1S/C17H18N2O/c1-12-8-9-14(10-13(12)2)11-20-17-15-6-4-5-7-16(15)19(3)18-17/h4-10H,11H2,1-3H3
InChIKeyOCHXTEKGPQHVFW-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.77
Rot. Bonds3

About 3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole

3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole (PubChem CID 51357039) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole
PubChem CID51357039
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole
SMILESCc1ccc(COc2nn(C)c3ccccc23)cc1C
InChIInChI=1S/C17H18N2O/c1-12-8-9-14(10-13(12)2)11-20-17-15-6-4-5-7-16(15)19(3)18-17/h4-10H,11H2,1-3H3
InChIKeyOCHXTEKGPQHVFW-UHFFFAOYSA-N
XLogP3.77
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole?
The IUPAC name of 3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole (CID 51357039) is 3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole is Cc1ccc(COc2nn(C)c3ccccc23)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole?
The InChIKey is OCHXTEKGPQHVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-8-9-14(10-13(12)2)11-20-17-15-6-4-5-7-16(15)19(3)18-17/h4-10H,11H2,1-3H3.
What are the key properties of 3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole?
3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole has a molecular weight of 266.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole is sourced from PubChem (CID 51357039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).