(3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one

C15H10FNO3 — CID 143061978

IUPAC(3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one
SMILESO=C1Nc2c(F)cccc2/C1=C\c1cc(O)ccc1O
InChIInChI=1S/C15H10FNO3/c16-12-3-1-2-10-11(15(20)17-14(10)12)7-8-6-9(18)4-5-13(8)19/h1-7,18-19H,(H,17,20)/b11-7+
InChIKeyAFVUKQWUQCJDRJ-YRNVUSSQSA-N
MW271.25 g/mol
LogP2.73
Rot. Bonds1

About (3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one

(3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one (PubChem CID 143061978) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is (3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one
PubChem CID143061978
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name(3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one
SMILESO=C1Nc2c(F)cccc2/C1=C\c1cc(O)ccc1O
InChIInChI=1S/C15H10FNO3/c16-12-3-1-2-10-11(15(20)17-14(10)12)7-8-6-9(18)4-5-13(8)19/h1-7,18-19H,(H,17,20)/b11-7+
InChIKeyAFVUKQWUQCJDRJ-YRNVUSSQSA-N
XLogP2.73
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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 (3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one (CID 143061978) is (3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one is O=C1Nc2c(F)cccc2/C1=C\c1cc(O)ccc1O.
What is the InChIKey of (3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one?
The InChIKey is AFVUKQWUQCJDRJ-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H10FNO3/c16-12-3-1-2-10-11(15(20)17-14(10)12)7-8-6-9(18)4-5-13(8)19/h1-7,18-19H,(H,17,20)/b11-7+.
What are the key properties of (3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one?
(3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one has a molecular weight of 271.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one is sourced from PubChem (CID 143061978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).