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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Related Compounds

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CID 46830522
10-hydroxy-5H-benzo[b]carbazole-6,11-dione
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10-methoxy-5H-benzo[b]carbazole-6,11-dione
CID 85761493
9-Hydroxy-4-methylbenzo[g]quinoline-5,10-dione
CID 14176769
9-Hydroxy-2-methylbenzo[g]quinoline-5,10-dione
CID 44575897
N-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 45485158
6,9-Dihydroxy-2-methylbenzo[g]quinoline-5,10-dione
CID 136184178
1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydro-4H-isoindol-4-one
CID 71811996
20-Hydroxy-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione
CID 71598222
7-hydroxy-10-methyl-5H-benzo[b]carbazole-6,11-dione
CID 12182188

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).