5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one

C23H18FNO3 — CID 146462155

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one
SMILESCOC(=C1C(=O)Nc2ccc(-c3c(F)cccc3OC)cc21)c1ccccc1
InChIInChI=1S/C23H18FNO3/c1-27-19-10-6-9-17(24)20(19)15-11-12-18-16(13-15)21(23(26)25-18)22(28-2)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,25,26)
InChIKeyWBWGIEKFHRFPHQ-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.97
Rot. Bonds4

About 5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one

5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one (PubChem CID 146462155) has the molecular formula C23H18FNO3 and a molecular weight of 375.40 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one
PubChem CID146462155
Molecular FormulaC23H18FNO3
Molecular Weight375.40 g/mol
Exact Mass375.13
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one
SMILESCOC(=C1C(=O)Nc2ccc(-c3c(F)cccc3OC)cc21)c1ccccc1
InChIInChI=1S/C23H18FNO3/c1-27-19-10-6-9-17(24)20(19)15-11-12-18-16(13-15)21(23(26)25-18)22(28-2)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,25,26)
InChIKeyWBWGIEKFHRFPHQ-UHFFFAOYSA-N
XLogP4.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one (CID 146462155) is 5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one is COC(=C1C(=O)Nc2ccc(-c3c(F)cccc3OC)cc21)c1ccccc1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one?
The InChIKey is WBWGIEKFHRFPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3/c1-27-19-10-6-9-17(24)20(19)15-11-12-18-16(13-15)21(23(26)25-18)22(28-2)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,25,26).
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one?
5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one has a molecular weight of 375.40 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 146462155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).