(3E)-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one

C15H11NO2 — CID 10561847

IUPAC(3E)-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1ccc(O)cc1
InChIInChI=1S/C15H11NO2/c17-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)16-15(13)18/h1-9,17H,(H,16,18)/b13-9+
InChIKeyPLAOAGFXNCEZMZ-UKTHLTGXSA-N
MW237.26 g/mol
LogP2.88
Rot. Bonds1

About (3E)-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one

(3E)-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 10561847) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (3E)-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one
PubChem CID10561847
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name(3E)-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1ccc(O)cc1
InChIInChI=1S/C15H11NO2/c17-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)16-15(13)18/h1-9,17H,(H,16,18)/b13-9+
InChIKeyPLAOAGFXNCEZMZ-UKTHLTGXSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one (CID 10561847) is (3E)-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C\c1ccc(O)cc1.
What is the InChIKey of (3E)-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is PLAOAGFXNCEZMZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H11NO2/c17-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)16-15(13)18/h1-9,17H,(H,16,18)/b13-9+.
What are the key properties of (3E)-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one?
(3E)-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 237.26 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 10561847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).