5-phenylmethoxy-1H-indole-2,3-dione

C15H11NO3 — CID 16792980

IUPAC5-phenylmethoxy-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(OCc3ccccc3)cc2C1=O
InChIInChI=1S/C15H11NO3/c17-14-12-8-11(6-7-13(12)16-15(14)18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)
InChIKeyXLEOHANMYAZMTK-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.40
Rot. Bonds3

About 5-phenylmethoxy-1H-indole-2,3-dione

5-phenylmethoxy-1H-indole-2,3-dione (PubChem CID 16792980) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-phenylmethoxy-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-phenylmethoxy-1H-indole-2,3-dione
PubChem CID16792980
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name5-phenylmethoxy-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(OCc3ccccc3)cc2C1=O
InChIInChI=1S/C15H11NO3/c17-14-12-8-11(6-7-13(12)16-15(14)18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)
InChIKeyXLEOHANMYAZMTK-UHFFFAOYSA-N
XLogP2.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methoxyisatin
CID 38333
1-((4-Methoxyphenyl)methyl)-5-(trifluoromethoxy)-1H-indole-2,3-dione
CID 42633508
5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione
CID 2732752
1-(2-Phenoxyethyl)-5-(trifluoromethoxy)indoline-2,3-dione
CID 57525860
6-Methoxy-2-phenyl-4-quinolone
CID 124348
6-Ethoxy-2-methyl-4-quinolinol
CID 730934
6-Methoxy-2-methylquinolin-4-ol
CID 316987
2-(4-Aminophenyl)-5-(3-fluoropropoxy)isoindole-1,3-dione
CID 25266311
2-(4-Aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione
CID 25271539
1-[(4-Phenylphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 45281794
(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947879
8-Ethoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CID 1999089

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-1H-indole-2,3-dione?
The IUPAC name of 5-phenylmethoxy-1H-indole-2,3-dione (CID 16792980) is 5-phenylmethoxy-1H-indole-2,3-dione.
What is the SMILES notation for 5-phenylmethoxy-1H-indole-2,3-dione?
The canonical SMILES for 5-phenylmethoxy-1H-indole-2,3-dione is O=C1Nc2ccc(OCc3ccccc3)cc2C1=O.
What is the InChIKey of 5-phenylmethoxy-1H-indole-2,3-dione?
The InChIKey is XLEOHANMYAZMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-14-12-8-11(6-7-13(12)16-15(14)18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18).
What are the key properties of 5-phenylmethoxy-1H-indole-2,3-dione?
5-phenylmethoxy-1H-indole-2,3-dione has a molecular weight of 253.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-1H-indole-2,3-dione is sourced from PubChem (CID 16792980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).