8-methoxy-4,5-dihydro-1H-benzo[g]indazole

C12H12N2O — CID 12686516

IUPAC8-methoxy-4,5-dihydro-1H-benzo[g]indazole
SMILESCOc1ccc2c(c1)-c1[nH]ncc1CC2
InChIInChI=1S/C12H12N2O/c1-15-10-5-4-8-2-3-9-7-13-14-12(9)11(8)6-10/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeyXOYHNDWEMKMSQG-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.18
Rot. Bonds1

About 8-methoxy-4,5-dihydro-1H-benzo[g]indazole

8-methoxy-4,5-dihydro-1H-benzo[g]indazole (PubChem CID 12686516) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 8-methoxy-4,5-dihydro-1H-benzo[g]indazole.

Molecular Properties

Compound Name8-methoxy-4,5-dihydro-1H-benzo[g]indazole
PubChem CID12686516
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name8-methoxy-4,5-dihydro-1H-benzo[g]indazole
SMILESCOc1ccc2c(c1)-c1[nH]ncc1CC2
InChIInChI=1S/C12H12N2O/c1-15-10-5-4-8-2-3-9-7-13-14-12(9)11(8)6-10/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeyXOYHNDWEMKMSQG-UHFFFAOYSA-N
XLogP2.18
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-methoxy-4,5-dihydro-1H-benzo[g]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4,5-dihydro-1H-benzo[g]indazole?
The IUPAC name of 8-methoxy-4,5-dihydro-1H-benzo[g]indazole (CID 12686516) is 8-methoxy-4,5-dihydro-1H-benzo[g]indazole.
What is the SMILES notation for 8-methoxy-4,5-dihydro-1H-benzo[g]indazole?
The canonical SMILES for 8-methoxy-4,5-dihydro-1H-benzo[g]indazole is COc1ccc2c(c1)-c1[nH]ncc1CC2.
What is the InChIKey of 8-methoxy-4,5-dihydro-1H-benzo[g]indazole?
The InChIKey is XOYHNDWEMKMSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-15-10-5-4-8-2-3-9-7-13-14-12(9)11(8)6-10/h4-7H,2-3H2,1H3,(H,13,14).
What are the key properties of 8-methoxy-4,5-dihydro-1H-benzo[g]indazole?
8-methoxy-4,5-dihydro-1H-benzo[g]indazole has a molecular weight of 200.24 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4,5-dihydro-1H-benzo[g]indazole is sourced from PubChem (CID 12686516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).