7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid

C13H12N2O3 — CID 3242152

IUPAC7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)O
InChIInChI=1S/C13H12N2O3/c1-18-8-3-5-9-7(6-8)2-4-10-11(9)14-15-12(10)13(16)17/h3,5-6H,2,4H2,1H3,(H,14,15)(H,16,17)
InChIKeyQYTVVDFVUGEKHF-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.88
Rot. Bonds2

About 7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid

7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid (PubChem CID 3242152) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid
PubChem CID3242152
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)O
InChIInChI=1S/C13H12N2O3/c1-18-8-3-5-9-7(6-8)2-4-10-11(9)14-15-12(10)13(16)17/h3,5-6H,2,4H2,1H3,(H,14,15)(H,16,17)
InChIKeyQYTVVDFVUGEKHF-UHFFFAOYSA-N
XLogP1.88
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid?
The IUPAC name of 7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid (CID 3242152) is 7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid.
What is the SMILES notation for 7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid?
The canonical SMILES for 7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid is COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)O.
What is the InChIKey of 7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid?
The InChIKey is QYTVVDFVUGEKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-18-8-3-5-9-7(6-8)2-4-10-11(9)14-15-12(10)13(16)17/h3,5-6H,2,4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid?
7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid is sourced from PubChem (CID 3242152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).