1-(2,5-dimethoxyphenyl)indole-2,3-dione

C16H13NO4 — CID 53359249

IUPAC1-(2,5-dimethoxyphenyl)indole-2,3-dione
SMILESCOc1ccc(OC)c(N2C(=O)C(=O)c3ccccc32)c1
InChIInChI=1S/C16H13NO4/c1-20-10-7-8-14(21-2)13(9-10)17-12-6-4-3-5-11(12)15(18)16(17)19/h3-9H,1-2H3
InChIKeyQJRFUPCSCOUUMY-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.56
Rot. Bonds3

About 1-(2,5-dimethoxyphenyl)indole-2,3-dione

1-(2,5-dimethoxyphenyl)indole-2,3-dione (PubChem CID 53359249) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)indole-2,3-dione
PubChem CID53359249
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name1-(2,5-dimethoxyphenyl)indole-2,3-dione
SMILESCOc1ccc(OC)c(N2C(=O)C(=O)c3ccccc32)c1
InChIInChI=1S/C16H13NO4/c1-20-10-7-8-14(21-2)13(9-10)17-12-6-4-3-5-11(12)15(18)16(17)19/h3-9H,1-2H3
InChIKeyQJRFUPCSCOUUMY-UHFFFAOYSA-N
XLogP2.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[(3R,4R)-4-benzoyloxy-1-(2,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 126306160
[(3S,4S)-4-benzoyloxy-1-(2,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 126306170
3-(1,3-dioxoisoindol-2-yl)-4-methoxybenzaldehyde
CID 168517187
2-(5-tert-butyl-2-methoxyphenyl)isoindole-1,3-dione
CID 56954690
1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione
CID 61356917
5-(1-benzyl-2-oxoindol-3-ylidene)-3-(2,5-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4277154
1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110560804
3-(2,5-dimethoxyphenyl)-5-(2-oxo-1-prop-2-enylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5214770
2-(2,5-dimethoxyphenyl)-7-methoxycyclohepta-2,4,6-trien-1-one
CID 617857
2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one
CID 102364443
1-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]indole-2,3-dione
CID 9285207
methyl 2-[3-[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetate
CID 23791301

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)indole-2,3-dione?
The IUPAC name of 1-(2,5-dimethoxyphenyl)indole-2,3-dione (CID 53359249) is 1-(2,5-dimethoxyphenyl)indole-2,3-dione.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)indole-2,3-dione?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)indole-2,3-dione is COc1ccc(OC)c(N2C(=O)C(=O)c3ccccc32)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)indole-2,3-dione?
The InChIKey is QJRFUPCSCOUUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-20-10-7-8-14(21-2)13(9-10)17-12-6-4-3-5-11(12)15(18)16(17)19/h3-9H,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)indole-2,3-dione?
1-(2,5-dimethoxyphenyl)indole-2,3-dione has a molecular weight of 283.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)indole-2,3-dione is sourced from PubChem (CID 53359249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).