6-(4-methylphenyl)-1H-indazole-4,7-dione

C14H10N2O2 — CID 10705080

IUPAC6-(4-methylphenyl)-1H-indazole-4,7-dione
SMILESCc1ccc(C2=CC(=O)c3cn[nH]c3C2=O)cc1
InChIInChI=1S/C14H10N2O2/c1-8-2-4-9(5-3-8)10-6-12(17)11-7-15-16-13(11)14(10)18/h2-7H,1H3,(H,15,16)
InChIKeyOBZHGZUCTQYGFM-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.18
Rot. Bonds1

About 6-(4-methylphenyl)-1H-indazole-4,7-dione

6-(4-methylphenyl)-1H-indazole-4,7-dione (PubChem CID 10705080) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1H-indazole-4,7-dione.

Molecular Properties

Compound Name6-(4-methylphenyl)-1H-indazole-4,7-dione
PubChem CID10705080
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name6-(4-methylphenyl)-1H-indazole-4,7-dione
SMILESCc1ccc(C2=CC(=O)c3cn[nH]c3C2=O)cc1
InChIInChI=1S/C14H10N2O2/c1-8-2-4-9(5-3-8)10-6-12(17)11-7-15-16-13(11)14(10)18/h2-7H,1H3,(H,15,16)
InChIKeyOBZHGZUCTQYGFM-UHFFFAOYSA-N
XLogP2.18
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1H-indazole-4,7-dione?
The IUPAC name of 6-(4-methylphenyl)-1H-indazole-4,7-dione (CID 10705080) is 6-(4-methylphenyl)-1H-indazole-4,7-dione.
What is the SMILES notation for 6-(4-methylphenyl)-1H-indazole-4,7-dione?
The canonical SMILES for 6-(4-methylphenyl)-1H-indazole-4,7-dione is Cc1ccc(C2=CC(=O)c3cn[nH]c3C2=O)cc1.
What is the InChIKey of 6-(4-methylphenyl)-1H-indazole-4,7-dione?
The InChIKey is OBZHGZUCTQYGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-8-2-4-9(5-3-8)10-6-12(17)11-7-15-16-13(11)14(10)18/h2-7H,1H3,(H,15,16).
What are the key properties of 6-(4-methylphenyl)-1H-indazole-4,7-dione?
6-(4-methylphenyl)-1H-indazole-4,7-dione has a molecular weight of 238.25 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1H-indazole-4,7-dione is sourced from PubChem (CID 10705080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).