5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one

C15H10FNO2 — CID 171130402

IUPAC5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2C1=Cc1cccc(O)c1
InChIInChI=1S/C15H10FNO2/c16-10-4-5-14-12(8-10)13(15(19)17-14)7-9-2-1-3-11(18)6-9/h1-8,18H,(H,17,19)
InChIKeyVDKXSTXYWXQWKZ-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.02
Rot. Bonds1

About 5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one

5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 171130402) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
PubChem CID171130402
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2C1=Cc1cccc(O)c1
InChIInChI=1S/C15H10FNO2/c16-10-4-5-14-12(8-10)13(15(19)17-14)7-9-2-1-3-11(18)6-9/h1-8,18H,(H,17,19)
InChIKeyVDKXSTXYWXQWKZ-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 4569324
5-fluoro-3-[[3-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246047
5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one
CID 3252421
(3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid
CID 112979206
5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246090
5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 3450009
(3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one
CID 23439039
5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one
CID 141375492
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 867662
(3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one
CID 22500239

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one (CID 171130402) is 5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(F)cc2C1=Cc1cccc(O)c1.
What is the InChIKey of 5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is VDKXSTXYWXQWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-10-4-5-14-12(8-10)13(15(19)17-14)7-9-2-1-3-11(18)6-9/h1-8,18H,(H,17,19).
What are the key properties of 5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one?
5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 255.25 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 171130402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).