6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole

C13H14N2O — CID 67506441

IUPAC6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole
SMILESCOc1cccc2c1CCc1cn(C)nc1-2
InChIInChI=1S/C13H14N2O/c1-15-8-9-6-7-10-11(13(9)14-15)4-3-5-12(10)16-2/h3-5,8H,6-7H2,1-2H3
InChIKeyLSXRGZAXUKKYDH-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.19
Rot. Bonds1

About 6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole

6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole (PubChem CID 67506441) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole.

Molecular Properties

Compound Name6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole
PubChem CID67506441
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole
SMILESCOc1cccc2c1CCc1cn(C)nc1-2
InChIInChI=1S/C13H14N2O/c1-15-8-9-6-7-10-11(13(9)14-15)4-3-5-12(10)16-2/h3-5,8H,6-7H2,1-2H3
InChIKeyLSXRGZAXUKKYDH-UHFFFAOYSA-N
XLogP2.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole?
The IUPAC name of 6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole (CID 67506441) is 6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole.
What is the SMILES notation for 6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole?
The canonical SMILES for 6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole is COc1cccc2c1CCc1cn(C)nc1-2.
What is the InChIKey of 6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole?
The InChIKey is LSXRGZAXUKKYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-15-8-9-6-7-10-11(13(9)14-15)4-3-5-12(10)16-2/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole?
6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole has a molecular weight of 214.27 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole is sourced from PubChem (CID 67506441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).