8-hydroxy-2-methyl-1H-benzo[f]indole-4,9-dione

C13H9NO3 — CID 46830523

IUPAC8-hydroxy-2-methyl-1H-benzo[f]indole-4,9-dione
SMILESCc1cc2c([nH]1)C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C13H9NO3/c1-6-5-8-11(14-6)13(17)10-7(12(8)16)3-2-4-9(10)15/h2-5,14-15H,1H3
InChIKeyDIDNTKIIMGYOJI-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.80
Rot. Bonds

About 8-hydroxy-2-methyl-1H-benzo[f]indole-4,9-dione

8-hydroxy-2-methyl-1H-benzo[f]indole-4,9-dione (PubChem CID 46830523) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 8-hydroxy-2-methyl-1H-benzo[f]indole-4,9-dione.

Molecular Properties

Compound Name8-hydroxy-2-methyl-1H-benzo[f]indole-4,9-dione
PubChem CID46830523
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name8-hydroxy-2-methyl-1H-benzo[f]indole-4,9-dione
SMILESCc1cc2c([nH]1)C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C13H9NO3/c1-6-5-8-11(14-6)13(17)10-7(12(8)16)3-2-4-9(10)15/h2-5,14-15H,1H3
InChIKeyDIDNTKIIMGYOJI-UHFFFAOYSA-N
XLogP1.80
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.80
H-Bond Donors ≤ 52
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 8-hydroxy-2-methyl-1H-benzo[f]indole-4,9-dione?
The IUPAC name of 8-hydroxy-2-methyl-1H-benzo[f]indole-4,9-dione (CID 46830523) is 8-hydroxy-2-methyl-1H-benzo[f]indole-4,9-dione.
What is the SMILES notation for 8-hydroxy-2-methyl-1H-benzo[f]indole-4,9-dione?
The canonical SMILES for 8-hydroxy-2-methyl-1H-benzo[f]indole-4,9-dione is Cc1cc2c([nH]1)C(=O)c1c(O)cccc1C2=O.
What is the InChIKey of 8-hydroxy-2-methyl-1H-benzo[f]indole-4,9-dione?
The InChIKey is DIDNTKIIMGYOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c1-6-5-8-11(14-6)13(17)10-7(12(8)16)3-2-4-9(10)15/h2-5,14-15H,1H3.
What are the key properties of 8-hydroxy-2-methyl-1H-benzo[f]indole-4,9-dione?
8-hydroxy-2-methyl-1H-benzo[f]indole-4,9-dione has a molecular weight of 227.22 g/mol, XLogP of 1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-methyl-1H-benzo[f]indole-4,9-dione is sourced from PubChem (CID 46830523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).