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

C13H14N2O — CID 118404764

IUPAC8-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole
SMILESCOc1ccc2c(c1)-c1nn(C)cc1CC2
InChIInChI=1S/C13H14N2O/c1-15-8-10-4-3-9-5-6-11(16-2)7-12(9)13(10)14-15/h5-8H,3-4H2,1-2H3
InChIKeyXYMHEDJSIUYSOX-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.19
Rot. Bonds1

About 8-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole

8-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole (PubChem CID 118404764) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 8-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole.

Molecular Properties

Compound Name8-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole
PubChem CID118404764
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name8-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole
SMILESCOc1ccc2c(c1)-c1nn(C)cc1CC2
InChIInChI=1S/C13H14N2O/c1-15-8-10-4-3-9-5-6-11(16-2)7-12(9)13(10)14-15/h5-8H,3-4H2,1-2H3
InChIKeyXYMHEDJSIUYSOX-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 8-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole?
The IUPAC name of 8-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole (CID 118404764) is 8-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole.
What is the SMILES notation for 8-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole?
The canonical SMILES for 8-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole is COc1ccc2c(c1)-c1nn(C)cc1CC2.
What is the InChIKey of 8-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole?
The InChIKey is XYMHEDJSIUYSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-15-8-10-4-3-9-5-6-11(16-2)7-12(9)13(10)14-15/h5-8H,3-4H2,1-2H3.
What are the key properties of 8-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole?
8-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 8-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole is sourced from PubChem (CID 118404764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).