5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione

C15H10FNO3 — CID 155533066

IUPAC5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(OCc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C15H10FNO3/c16-10-3-1-9(2-4-10)8-20-11-5-6-13-12(7-11)14(18)15(19)17-13/h1-7H,8H2,(H,17,18,19)
InChIKeyLXSPQCBMRKHBMQ-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.54
Rot. Bonds3

About 5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione

5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione (PubChem CID 155533066) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione
PubChem CID155533066
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(OCc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C15H10FNO3/c16-10-3-1-9(2-4-10)8-20-11-5-6-13-12(7-11)14(18)15(19)17-13/h1-7H,8H2,(H,17,18,19)
InChIKeyLXSPQCBMRKHBMQ-UHFFFAOYSA-N
XLogP2.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione (CID 155533066) is 5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione is O=C1Nc2ccc(OCc3ccc(F)cc3)cc2C1=O.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione?
The InChIKey is LXSPQCBMRKHBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c16-10-3-1-9(2-4-10)8-20-11-5-6-13-12(7-11)14(18)15(19)17-13/h1-7H,8H2,(H,17,18,19).
What are the key properties of 5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione?
5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione has a molecular weight of 271.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione is sourced from PubChem (CID 155533066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).